ethyl 3-[phenylcarbamoyl-(phenylmethyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[phenylcarbamoyl-(phenylmethyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[benzyl(phenylcarbamoyl)amino]pyrazole-4-carboxylate CAS Name: 3-[[anilino(oxo)methyl]-(phenylmethyl)amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[benzyl(phenylcarbamoyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-[benzyl(phenylcarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1N(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(N=C1N(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-2-34-26(32)24-20-30(18-21-12-6-3-7-13-21)29-25(24)31(19-22-14-8-4-9-15-22)27(33)28-23-16-10-5-11-17-23/h3-17,20H,2,18-19H2,1H3,(H,28,33)