ethyl 1-[4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(4-ethoxybenzyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OCC)C

InChI

InChI=1S/C27H32N4O4/c1-4-34-24-12-6-21(7-13-24)19-29-14-16-30(17-15-29)26(32)22-8-10-23(11-9-22)31-20(3)25(18-28-31)27(33)35-5-2/h6-13,18H,4-5,14-17,19H2,1-3H3