(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl) 4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

Systemtic Name: (7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl) 4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate Openeye Name: (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxylic acid (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylic acid (7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl) ester Formula: C30H28ClN5O4 MolecularWeight: 558.02742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=CC=CC=C6

InChI

InChI=1S/C30H28ClN5O4/c1-34-25-12-11-21(31)17-23(25)26(19-7-3-2-4-8-19)33-27(28(34)37)40-30(39)35-15-13-22(14-16-35)36-18-20-9-5-6-10-24(20)32-29(36)38/h2-12,17,22,27H,13-16,18H2,1H3,(H,32,38)