methyl 9-chloranyl-3-oxidanylidene-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate

Systemtic Name: methyl 9-chloranyl-3-oxidanylidene-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate Openeye Name: methyl 9-chloro-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate CAS Name: 9-chloro-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylic acid methyl ester IUPAC Name: methyl 9-chloro-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate Traditional Name: 9-chloro-3-keto-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylic acid methyl ester Formula: C20H14ClN3O3 MolecularWeight: 379.79646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C20H14ClN3O3/c1-27-20(26)16-10-18(25)23-17-11-22-19(12-5-3-2-4-6-12)14-9-13(21)7-8-15(14)24(16)17/h2-10H,11H2,1H3