(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O2/c1-15-8-10-26(11-9-15)20-7-6-16(13-21(20)27(28)29)12-17(14-23)22-24-18-4-2-3-5-19(18)25-22/h2-7,12-13,15H,8-11H2,1H3,(H,24,25)/b17-12+