(2-oxidanylideneazepan-3-yl) 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxoazepan-3-yl) 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC4CCCCNC4=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC4CCCCNC4=O

InChI

InChI=1S/C23H23N3O3/c1-16-10-12-18(13-11-16)26-15-19(21(25-26)17-7-3-2-4-8-17)23(28)29-20-9-5-6-14-24-22(20)27/h2-4,7-8,10-13,15,20H,5-6,9,14H2,1H3,(H,24,27)