(3S)-1-(3,3-dimethylbutanoyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3,3-dimethylbutanoyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(3,3-dimethylbutanoyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-(3,3-dimethyl-1-oxobutyl)-N-[3-(1H-indol-2-yl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3,3-dimethylbutanoyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(3,3-dimethylbutanoyl)-N-[3-(1H-indol-2-yl)phenyl]nipecotamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C26H31N3O2/c1-26(2,3)16-24(30)29-13-7-10-20(17-29)25(31)27-21-11-6-9-18(14-21)23-15-19-8-4-5-12-22(19)28-23/h4-6,8-9,11-12,14-15,20,28H,7,10,13,16-17H2,1-3H3,(H,27,31)/t20-/m0/s1