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

Systemtic Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-methyl-1-oxobutyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-isovaleryl-nipecotamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-17(2)13-24(29)28-12-6-9-20(16-28)25(30)26-21-10-5-8-18(14-21)23-15-19-7-3-4-11-22(19)27-23/h3-5,7-8,10-11,14-15,17,20,27H,6,9,12-13,16H2,1-2H3,(H,26,30)/t20-/m0/s1