3-[7,8-dimethoxy-2-(methylamino)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[7,8-dimethoxy-2-(methylamino)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7,8-dimethoxy-2-(methylamino)-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7,8-dimethoxy-2-(methylamino)-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7,8-dimethoxy-2-(methylamino)-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[7,8-dimethoxy-2-(methylamino)-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=CC(=C(C=C2C(=NC1)C3=CC=CC(=C3)C#N)OC)OC

Isomeric SMILES

CNC1=NC2=CC(=C(C=C2C(=NC1)C3=CC=CC(=C3)C#N)OC)OC

InChI

InChI=1S/C19H18N4O2/c1-21-18-11-22-19(13-6-4-5-12(7-13)10-20)14-8-16(24-2)17(25-3)9-15(14)23-18/h4-9H,11H2,1-3H3,(H,21,23)