3-[8-methyl-7-[methyl(propyl)amino]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-methyl-7-[methyl(propyl)amino]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-methyl-7-[methyl(propyl)amino]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-methyl-7-[methyl(propyl)amino]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-methyl-7-[methyl(propyl)amino]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-methyl-7-[methyl(propyl)amino]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC2=C(C=C1C)NC(=O)CC(=N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN(C)C1=CC2=C(C=C1C)NC(=O)CC(=N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N4O/c1-4-8-25(3)20-11-19-18(9-14(20)2)24-21(26)12-17(23-19)16-7-5-6-15(10-16)13-22/h5-7,9-11H,4,8,12H2,1-3H3,(H,24,26)