4-[8-chloranyl-7-(dimethylamino)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

Systemtic Name: 4-[8-chloranyl-7-(dimethylamino)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[8-chloro-7-(dimethylamino)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C17H14ClN5O MolecularWeight: 339.77896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=NC=C3)C#N)Cl

Isomeric SMILES

CN(C)C1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=NC=C3)C#N)Cl

InChI

InChI=1S/C17H14ClN5O/c1-23(2)16-7-15-14(6-12(16)18)22-17(24)8-13(21-15)10-3-4-20-11(5-10)9-19/h3-7H,8H2,1-2H3,(H,22,24)