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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2/c1-3-18(4-2)26(31)29-14-8-11-21(17-29)25(30)27-22-12-7-10-19(15-22)24-16-20-9-5-6-13-23(20)28-24/h5-7,9-10,12-13,15-16,18,21,28H,3-4,8,11,14,17H2,1-2H3,(H,27,30)/t21-/m0/s1