(E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(3-nitro-4-piperidino-phenyl)acrylonitrile Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C24H22N4O3/c1-16-23(19-7-3-4-8-20(19)26-16)24(29)18(15-25)13-17-9-10-21(22(14-17)28(30)31)27-11-5-2-6-12-27/h3-4,7-10,13-14,26H,2,5-6,11-12H2,1H3/b18-13+