1-[1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[1-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-(4-p-anisylpiperazino)ethyl]pyrazole-3-carboxylic acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC)N3C=CC(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC)N3C=CC(=N3)C(=O)O

InChI

InChI=1S/C19H24N4O4/c1-14(23-8-7-17(20-23)19(25)26)18(24)22-11-9-21(10-12-22)13-15-3-5-16(27-2)6-4-15/h3-8,14H,9-13H2,1-2H3,(H,25,26)