(3S)-1-(1H-indol-2-ylcarbonyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1H-indol-2-ylcarbonyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1H-indole-2-carbonyl)-N-[(1R)-1-methyl-3-phenyl-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-[1H-indol-2-yl(oxo)methyl]-N-[(2R)-4-phenylbutan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1H-indole-2-carbonyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1H-indole-2-carbonyl)-N-[(1R)-1-methyl-3-phenyl-propyl]nipecotamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C25H29N3O2/c1-18(13-14-19-8-3-2-4-9-19)26-24(29)21-11-7-15-28(17-21)25(30)23-16-20-10-5-6-12-22(20)27-23/h2-6,8-10,12,16,18,21,27H,7,11,13-15,17H2,1H3,(H,26,29)/t18-,21+/m1/s1