ethyl 4-oxidanyl-6-phenyl-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylate

Systemtic Name: ethyl 4-oxidanyl-6-phenyl-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylate Openeye Name: ethyl 4-hydroxy-6-phenyl-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylate CAS Name: 4-hydroxy-6-phenyl-4-pyrrolo[1,2-a][1,4]benzodiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-6-phenylpyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylate Traditional Name: 4-hydroxy-6-phenyl-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid ethyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CN2C3=CC=CC=C3C(=N1)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1(C2=CC=CN2C3=CC=CC=C3C(=N1)C4=CC=CC=C4)O

InChI

InChI=1S/C21H18N2O3/c1-2-26-20(24)21(25)18-13-8-14-23(18)17-12-7-6-11-16(17)19(22-21)15-9-4-3-5-10-15/h3-14,25H,2H2,1H3