N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-1-[(4-methylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-1-p-toluoyl-nipecotamide Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

InChI

InChI=1S/C24H27ClN4O3/c1-16-4-6-17(7-5-16)24(32)29-11-2-3-18(14-29)23(31)27-19-8-9-21(20(25)13-19)28-12-10-26-22(30)15-28/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,26,30)(H,27,31)