ethyl 5-[4-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]phenyl]-1-(2-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]phenyl]-1-(2-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl]-1-(2-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-(2-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl]-1-(2-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 5-[4-[4-(3-cyanobenzoyl)piperazino]phenyl]-1-(2-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=CC=C5OC

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=CC=C5OC

InChI

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