3-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzonitrile CAS Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzonitrile IUPAC Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzonitrile Traditional Name: 3-[2-amino-3-(1H-benzimidazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzonitrile Formula: C18H13N5O MolecularWeight: 315.32872

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C#N)N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C#N)N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H13N5O/c19-9-11-4-3-5-12(8-11)23-10-15(24)16(17(23)20)18-21-13-6-1-2-7-14(13)22-18/h1-8H,10,20H2,(H,21,22)