4-[4-(2-naphthalen-2-ylethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-(2-naphthalen-2-ylethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-[2-(2-naphthyl)ethylamino]-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-[2-(2-naphthalenyl)ethylamino]-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-(2-naphthalen-2-ylethylamino)piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-[2-(2-naphthyl)ethylamino]piperidino]benzamide Formula: C30H36N4O2 MolecularWeight: 484.63244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H36N4O2/c35-29(33-28-7-3-4-17-32-30(28)36)24-10-12-27(13-11-24)34-19-15-26(16-20-34)31-18-14-22-8-9-23-5-1-2-6-25(23)21-22/h1-2,5-6,8-13,21,26,28,31H,3-4,7,14-20H2,(H,32,36)(H,33,35)/t28-/m0/s1