ethyl 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C

InChI

InChI=1S/C26H30N4O3/c1-5-33-26(32)23-17-27-30(20(23)4)22-11-9-21(10-12-22)25(31)29-15-13-28(14-16-29)24-8-6-7-18(2)19(24)3/h6-12,17H,5,13-16H2,1-4H3