1-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-[(4-fluorobenzyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H14FN3O3 MolecularWeight: 291.277663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN2C=CC(=N2)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN2C=CC(=N2)C(=O)O)F

InChI

InChI=1S/C14H14FN3O3/c15-11-3-1-10(2-4-11)9-16-13(19)6-8-18-7-5-12(17-18)14(20)21/h1-5,7H,6,8-9H2,(H,16,19)(H,20,21)