1-[1-oxidanylidene-1-[[4-(piperidin-1-ylmethyl)phenyl]amino]propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-[[4-(piperidin-1-ylmethyl)phenyl]amino]propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-[4-(1-piperidylmethyl)anilino]ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-oxo-1-[4-(1-piperidinylmethyl)anilino]propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-oxo-1-[4-(piperidin-1-ylmethyl)anilino]propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-[4-(piperidinomethyl)anilino]ethyl]pyrazole-4-carboxylic acid Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CN2CCCCC2)N3C=C(C=N3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CN2CCCCC2)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C19H24N4O3/c1-14(23-13-16(11-20-23)19(25)26)18(24)21-17-7-5-15(6-8-17)12-22-9-3-2-4-10-22/h5-8,11,13-14H,2-4,9-10,12H2,1H3,(H,21,24)(H,25,26)