ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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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)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O5/c1-4-34-25(31)28-14-12-27(13-15-28)24(30)20-17-29(19-8-6-5-7-9-19)26-23(20)18-10-11-21(32-2)22(16-18)33-3/h5-11,16-17H,4,12-15H2,1-3H3