(E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidino-phenyl)acrylonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H21N5O2/c1-15-5-7-18-19(11-15)25-22(24-18)17(14-23)12-16-6-8-20(21(13-16)27(28)29)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,24,25)/b17-12+