1-[1-[[3-(morpholin-4-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-[[3-(morpholin-4-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-[3-(morpholinomethyl)anilino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-[3-(4-morpholinylmethyl)anilino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-[3-(morpholin-4-ylmethyl)anilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-[3-(morpholinomethyl)anilino]ethyl]pyrazole-4-carboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)CN2CCOCC2)N3C=C(C=N3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)CN2CCOCC2)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C18H22N4O4/c1-13(22-12-15(10-19-22)18(24)25)17(23)20-16-4-2-3-14(9-16)11-21-5-7-26-8-6-21/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,20,23)(H,24,25)