1-[5-[(4-fluorophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[5-[(4-fluorophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-[(4-fluorophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[5-[(4-fluorophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-[(4-fluorophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-[(4-fluorobenzyl)amino]-3-phenyl-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C24H21FN4O MolecularWeight: 400.448143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H21FN4O/c25-21-14-11-19(12-15-21)17-26-24-27-23(20-9-5-2-6-10-20)28-29(24)22(30)16-13-18-7-3-1-4-8-18/h1-12,14-15H,13,16-17H2,(H,26,27,28)