CHEBI:105985 - 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea
ChEBI ID CHEBI:105985
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H29ClN4O2
Net Charge 0
Average Mass 416.945
Monoisotopic Mass 416.19790
InChI InChI=1S/C22H29ClN4O2/c1-17-4-6-18(7-5-17)25-22(28)24-10-3-11-26-12-14-27(15-13-26)21-16-19(29-2)8-9-20(21)23/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,28)
InChIKey FXEQPMSYJAWBQO-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=C(C=CC(=C3)OC)Cl
ChEBI Ontology
Outgoing 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea (CHEBI:105985) is a piperazines (CHEBI:26144)
Manual Xref Database
LSM-17346 LINCS
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