ethyl 4-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4/c1-3-33-25(31)28-15-13-27(14-16-28)24(30)22-18-29(17-19-7-5-4-6-8-19)26-23(22)20-9-11-21(32-2)12-10-20/h4-12,18H,3,13-17H2,1-2H3