2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(4-dimethylaminophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(4-dimethylaminophenyl)methylideneamino]ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(4-dimethylaminophenyl)methyleneamino]acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-[4-(dimethylamino)benzylidene]amino]acetamide Formula: C26H24BrN5O2 MolecularWeight: 518.40506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NNC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H24BrN5O2/c1-31(2)21-11-8-18(9-12-21)15-29-30-24(33)17-32-23-13-10-20(27)14-22(23)26(28-16-25(32)34)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,30,33)/b29-15+