1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]piperidine-4-carboxamide Openeye Name: 1-[1-(o-tolylmethyl)-4-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]piperidine-4-carboxamide CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[(3S)-2-oxoazepan-3-yl]piperidine-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-1-[1-(2-methylbenzyl)-4-piperidyl]isonipecotamide Formula: C25H38N4O2 MolecularWeight: 426.59482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CC2)N3CCC(CC3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CC2)N3CCC(CC3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C25H38N4O2/c1-19-6-2-3-7-21(19)18-28-14-11-22(12-15-28)29-16-9-20(10-17-29)24(30)27-23-8-4-5-13-26-25(23)31/h2-3,6-7,20,22-23H,4-5,8-18H2,1H3,(H,26,31)(H,27,30)/t23-/m0/s1