3-methyl-4-[2-[(4-nitro-1H-benzimidazol-2-yl)methylamino]pyridin-4-yl]benzenecarbonitrile

Systemtic Name: 3-methyl-4-[2-[(4-nitro-1H-benzimidazol-2-yl)methylamino]pyridin-4-yl]benzenecarbonitrile Openeye Name: 3-methyl-4-[2-[(4-nitro-1H-benzimidazol-2-yl)methylamino]-4-pyridyl]benzonitrile CAS Name: 3-methyl-4-[2-[(4-nitro-1H-benzimidazol-2-yl)methylamino]-4-pyridinyl]benzonitrile IUPAC Name: 3-methyl-4-[2-[(4-nitro-1H-benzimidazol-2-yl)methylamino]pyridin-4-yl]benzonitrile Traditional Name: 3-methyl-4-[2-[(4-nitro-1H-benzimidazol-2-yl)methylamino]-4-pyridyl]benzonitrile Formula: C21H16N6O2 MolecularWeight: 384.39074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2=CC(=NC=C2)NCC3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2=CC(=NC=C2)NCC3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O2/c1-13-9-14(11-22)5-6-16(13)15-7-8-23-19(10-15)24-12-20-25-17-3-2-4-18(27(28)29)21(17)26-20/h2-10H,12H2,1H3,(H,23,24)(H,25,26)