2-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(4-fluorobenzyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H14FN3O3 MolecularWeight: 291.277663

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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)6-8-18-12(14(20)21)5-7-17-18/h1-5,7H,6,8-9H2,(H,16,19)(H,20,21)