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

Systemtic Name: 3-(3-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(isobutyrylamino)phenyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3/c1-19(2)27(33)29-22-12-14-23(15-13-22)30-28(34)25-18-32(17-20-8-5-4-6-9-20)31-26(25)21-10-7-11-24(16-21)35-3/h4-16,18-19H,17H2,1-3H3,(H,29,33)(H,30,34)