methyl 9-(pyridin-3-ylmethylcarbamoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Systemtic Name: methyl 9-(pyridin-3-ylmethylcarbamoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Openeye Name: methyl 9-(3-pyridylmethylcarbamoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate CAS Name: 9-[oxo-(3-pyridinylmethylamino)methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 9-(pyridin-3-ylmethylcarbamoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Traditional Name: 9-(3-pyridylmethylcarbamoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2=CC=C(N2CC3=CC=CC=C31)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC(=O)N1CC2=CC=C(N2CC3=CC=CC=C31)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H20N4O3/c1-28-21(27)25-14-17-8-9-19(20(26)23-12-15-5-4-10-22-11-15)24(17)13-16-6-2-3-7-18(16)25/h2-11H,12-14H2,1H3,(H,23,26)