[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O3/c1-15(22(28)19-14-25-20-5-3-2-4-18(19)20)30-23(29)17-8-10-27(11-9-17)21-7-6-16(12-24)13-26-21/h2-7,13-15,17,25H,8-11H2,1H3