methyl 2-[5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: methyl 2-[5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: methyl 2-[5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-3-oxo-pyrazol-1-yl]benzoate CAS Name: 2-[5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-3-oxo-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-3-oxopyrazol-1-yl]benzoate Traditional Name: 2-[3-keto-5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazino]propyl]-3-pyrazolin-1-yl]benzoic acid methyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C25H31N5O3/c1-19-9-10-26-23(17-19)28-15-13-27(14-16-28)11-6-12-29-24(31)18-20(2)30(29)22-8-5-4-7-21(22)25(32)33-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3