ethyl 6-(4-aminophenyl)-8-chloranyl-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate

Systemtic Name: ethyl 6-(4-aminophenyl)-8-chloranyl-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate Openeye Name: ethyl 6-(4-aminophenyl)-8-chloro-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate CAS Name: 6-(4-aminophenyl)-8-chloro-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-aminophenyl)-8-chloro-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate Traditional Name: 6-(4-aminophenyl)-8-chloro-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylic acid ethyl ester Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1)CC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)N

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1)CC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)N

InChI

InChI=1S/C21H18ClN3O2/c1-2-27-21(26)15-10-18-9-14-3-6-16(22)11-19(14)20(24-25(18)12-15)13-4-7-17(23)8-5-13/h3-8,10-12H,2,9,23H2,1H3