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

Systemtic Name: 3-(3-methoxyphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3-methoxyphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3-methoxyphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[3-(isobutyrylamino)benzyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O3/c1-20(2)28(34)31-24-13-7-11-22(15-24)17-30-29(35)26-19-33(18-21-9-5-4-6-10-21)32-27(26)23-12-8-14-25(16-23)36-3/h4-16,19-20H,17-18H2,1-3H3,(H,30,35)(H,31,34)