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

Systemtic Name: ethyl 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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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=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4/c1-4-33-25(31)23-17-26-29(18(23)2)20-10-8-19(9-11-20)24(30)28-14-12-27(13-15-28)21-6-5-7-22(16-21)32-3/h5-11,16-17H,4,12-15H2,1-3H3