3-(2-chlorophenyl)-1-[5-[(4-fluorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2-chlorophenyl)-1-[5-[(4-fluorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 3-(2-chlorophenyl)-1-[5-[(4-fluorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]prop-2-en-1-one CAS Name: 3-(2-chlorophenyl)-1-[5-[(4-fluorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(2-chlorophenyl)-1-[5-[(4-fluorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: 3-(2-chlorophenyl)-1-[5-[(4-fluorobenzyl)amino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C25H20ClFN4O2 MolecularWeight: 462.903303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)F)C(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)F)C(=O)C=CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClFN4O2/c1-33-21-13-8-19(9-14-21)24-29-25(28-16-17-6-11-20(27)12-7-17)31(30-24)23(32)15-10-18-4-2-3-5-22(18)26/h2-15H,16H2,1H3,(H,28,29,30)