N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3-phenyl-pyrazole-4-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2/c1-20-13-15-23(16-14-20)28-25(32)19-30(2)27(33)24-18-31(17-21-9-5-3-6-10-21)29-26(24)22-11-7-4-8-12-22/h3-16,18H,17,19H2,1-2H3,(H,28,32)