(3S)-N,N-diethyl-1-[(4S)-1-(naphthalen-2-ylmethyl)-7-oxidanylidene-azepan-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(4S)-1-(naphthalen-2-ylmethyl)-7-oxidanylidene-azepan-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(4S)-1-(2-naphthylmethyl)-7-oxo-azepan-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(4S)-1-(2-naphthalenylmethyl)-7-oxo-4-azepanyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(4S)-1-(naphthalen-2-ylmethyl)-7-oxoazepan-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(4S)-7-keto-1-(2-naphthylmethyl)azepan-4-yl]nipecotamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2CCC(=O)N(CC2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)[C@H]2CCC(=O)N(CC2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H37N3O2/c1-3-28(4-2)27(32)24-10-7-16-29(20-24)25-13-14-26(31)30(17-15-25)19-21-11-12-22-8-5-6-9-23(22)18-21/h5-6,8-9,11-12,18,24-25H,3-4,7,10,13-17,19-20H2,1-2H3/t24-,25-/m0/s1