N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-3-phenyl-pyrazole-4-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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