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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H22N4O4/c23-17(5-7-22-16(18(24)25)4-6-19-22)20-15-3-1-2-14(12-15)13-21-8-10-26-11-9-21/h1-4,6,12H,5,7-11,13H2,(H,20,23)(H,24,25)