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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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