phenyl 7-(1,4-diazepan-1-ylcarbonyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate

Systemtic Name: phenyl 7-(1,4-diazepan-1-ylcarbonyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Openeye Name: phenyl 7-(1,4-diazepane-1-carbonyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-(1,4-diazepane-1-carbonyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Traditional Name: 7-(1,4-diazepane-1-carbonyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4/c33-26-19-25(20-8-3-1-4-9-20)32(28(35)36-22-10-5-2-6-11-22)24-13-12-21(18-23(24)30-26)27(34)31-16-7-14-29-15-17-31/h1-6,8-13,18,25,29H,7,14-17,19H2,(H,30,33)