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

Systemtic Name: 3-[8-chloranyl-7-(dimethylamino)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-chloro-7-(dimethylamino)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C18H15ClN4O MolecularWeight: 338.7909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O/c1-23(2)17-8-16-15(7-13(17)19)22-18(24)9-14(21-16)12-5-3-4-11(6-12)10-20/h3-8H,9H2,1-2H3,(H,22,24)