4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-[(3-chlorophenyl)methylamino]-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-[(3-chlorophenyl)methylamino]-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 4-[4-[(3-chlorobenzyl)amino]piperidino]-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C25H31ClN4O2 MolecularWeight: 454.99224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H31ClN4O2/c26-20-5-3-4-18(16-20)17-28-21-11-14-30(15-12-21)22-9-7-19(8-10-22)24(31)29-23-6-1-2-13-27-25(23)32/h3-5,7-10,16,21,23,28H,1-2,6,11-15,17H2,(H,27,32)(H,29,31)/t23-/m0/s1