methyl 2-chloranyl-4-[3-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)pyrazol-1-yl]benzoate

Systemtic Name: methyl 2-chloranyl-4-[3-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)pyrazol-1-yl]benzoate Openeye Name: methyl 2-chloro-4-[3-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)pyrazol-1-yl]benzoate CAS Name: 2-chloro-4-[3-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-[3-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)pyrazol-1-yl]benzoate Traditional Name: 2-chloro-4-[3-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)pyrazol-1-yl]benzoic acid methyl ester Formula: C24H19ClN4O3 MolecularWeight: 446.88566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N2C=CC(=N2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N2C=CC(=N2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl

InChI

InChI=1S/C24H19ClN4O3/c1-32-24(31)19-9-8-17(13-20(19)25)29-12-10-21(26-29)23(30)28-15-18-6-4-11-27(18)14-16-5-2-3-7-22(16)28/h2-13H,14-15H2,1H3