methyl (5Z)-3-[(4-fluorophenyl)methyl]-5-(5-methyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-8-oxidanylidene-quinoline-7-carboxylate

Systemtic Name: methyl (5Z)-3-[(4-fluorophenyl)methyl]-5-(5-methyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-8-oxidanylidene-quinoline-7-carboxylate Openeye Name: methyl (5Z)-3-[(4-fluorophenyl)methyl]-5-(5-methyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-8-oxo-quinoline-7-carboxylate CAS Name: (5Z)-3-[(4-fluorophenyl)methyl]-5-(5-methyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-8-oxo-7-quinolinecarboxylic acid methyl ester IUPAC Name: methyl (5Z)-3-[(4-fluorophenyl)methyl]-5-(5-methyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-8-oxoquinoline-7-carboxylate Traditional Name: (5Z)-3-(4-fluorobenzyl)-8-keto-5-(5-methyl-1,2-dihydro-1,2,4-triazol-3-ylidene)quinoline-7-carboxylic acid methyl ester Formula: C21H17FN4O3 MolecularWeight: 392.383083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(C(=O)C3=NC=C(C=C23)CC4=CC=C(C=C4)F)C(=O)OC)NN1

Isomeric SMILES

CC1=N/C(=C/2\C=C(C(=O)C3=NC=C(C=C23)CC4=CC=C(C=C4)F)C(=O)OC)/NN1

InChI

InChI=1S/C21H17FN4O3/c1-11-24-20(26-25-11)16-9-17(21(28)29-2)19(27)18-15(16)8-13(10-23-18)7-12-3-5-14(22)6-4-12/h3-6,8-10,26H,7H2,1-2H3,(H,24,25)/b20-16-