3-(2-methylphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2-methylphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2-methylphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2/c1-18(2)26(32)28-20-13-15-21(16-14-20)29-27(33)24-17-31(22-10-5-4-6-11-22)30-25(24)23-12-8-7-9-19(23)3/h4-18H,1-3H3,(H,28,32)(H,29,33)