3-chloranyl-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)benzenecarbonitrile Openeye Name: 3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzonitrile CAS Name: 3-chloro-4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]benzonitrile IUPAC Name: 3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzonitrile Traditional Name: 3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzonitrile Formula: C20H14ClN3O MolecularWeight: 347.79766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C20H14ClN3O/c21-18-10-14(11-22)7-8-17(18)20(25)24-13-16-5-3-9-23(16)12-15-4-1-2-6-19(15)24/h1-10H,12-13H2