3-[2-[[5-[(3-nitropyridin-2-yl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propanenitrile

Systemtic Name: 3-[2-[[5-[(3-nitropyridin-2-yl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propanenitrile Openeye Name: 3-[2-[[5-[(3-nitro-2-pyridyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propanenitrile CAS Name: 3-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]-1-pyrrolidinyl]propanenitrile IUPAC Name: 3-[2-[[5-[(3-nitropyridin-2-yl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propanenitrile Traditional Name: 3-[2-[[5-[(3-nitro-2-pyridyl)amino]-1H-indol-3-yl]methyl]pyrrolidino]propionitrile Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCC#N)CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)CCC#N)CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O2/c22-8-3-11-26-10-2-4-17(26)12-15-14-24-19-7-6-16(13-18(15)19)25-21-20(27(28)29)5-1-9-23-21/h1,5-7,9,13-14,17,24H,2-4,10-12H2,(H,23,25)