ethyl 5-[4-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 5-[4-[4-(3-cyanobenzoyl)piperazino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C31H29N5O4 MolecularWeight: 535.59306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H29N5O4/c1-3-40-31(38)28-20-29(36(33-28)26-11-13-27(39-2)14-12-26)23-7-9-25(10-8-23)34-15-17-35(18-16-34)30(37)24-6-4-5-22(19-24)21-32/h4-14,19-20H,3,15-18H2,1-2H3