2-[1-(4-tert-butylphenyl)pyrazol-4-yl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid

Systemtic Name: 2-[1-(4-tert-butylphenyl)pyrazol-4-yl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[1-(4-tert-butylphenyl)pyrazol-4-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[1-(4-tert-butylphenyl)-4-pyrazolyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[1-(4-tert-butylphenyl)pyrazol-4-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[1-(4-tert-butylphenyl)pyrazol-4-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C=C(C=N2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C=C(C=N2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

InChI

InChI=1S/C25H22N4O3/c1-25(2,3)17-5-7-18(8-6-17)29-13-16(12-26-29)23-27-19-9-4-14-10-15(24(31)32)11-20(30)21(14)22(19)28-23/h4-13,30H,1-3H3,(H,27,28)(H,31,32)