2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N'-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]acetohydrazide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N'-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Formula: C25H21BrN4O4 MolecularWeight: 521.36264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4)C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4)C=CC1=O

InChI

InChI=1S/C25H21BrN4O4/c1-34-22-11-16(7-10-21(22)31)13-28-29-23(32)15-30-20-9-8-18(26)12-19(20)25(27-14-24(30)33)17-5-3-2-4-6-17/h2-13,28H,14-15H2,1H3,(H,29,32)