4-[(3-methoxyphenyl)carbamoylamino]-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid

Systemtic Name: 4-[(3-methoxyphenyl)carbamoylamino]-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid Openeye Name: 4-[(3-methoxyphenyl)carbamoylamino]-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid CAS Name: 4-[[(3-methoxyanilino)-oxomethyl]amino]-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid IUPAC Name: 4-[(3-methoxyphenyl)carbamoylamino]-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid Traditional Name: 4-[(3-methoxyphenyl)carbamoylamino]-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid Formula: C26H21N5O4 MolecularWeight: 467.47604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2C3=CC(=NN3C4=CC=CC=C4C(=N2)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2C3=CC(=NN3C4=CC=CC=C4C(=N2)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H21N5O4/c1-35-18-11-7-10-17(14-18)27-26(34)29-24-22-15-20(25(32)33)30-31(22)21-13-6-5-12-19(21)23(28-24)16-8-3-2-4-9-16/h2-15,24H,1H3,(H,32,33)(H2,27,29,34)