ethyl 1-[4-[4-(furan-2-ylmethyl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(furan-2-ylmethyl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(2-furylmethyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(2-furanylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(2-furfuryl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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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)CC4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CO4)C

InChI

InChI=1S/C23H26N4O4/c1-3-30-23(29)21-15-24-27(17(21)2)19-8-6-18(7-9-19)22(28)26-12-10-25(11-13-26)16-20-5-4-14-31-20/h4-9,14-15H,3,10-13,16H2,1-2H3