(3S)-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)[C@H]3CCCN(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c1-32-23-15-13-20(14-16-23)24-12-6-3-7-18-29(24)25(30)21-9-8-17-28(19-21)26(31)27-22-10-4-2-5-11-22/h2,4-5,10-11,13-16,21,24H,3,6-9,12,17-19H2,1H3,(H,27,31)/t21-,24+/m0/s1