1-[3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[3,5-bis[(4-chlorobenzyl)amino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C20H21Cl2N5O MolecularWeight: 418.31964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)Cl)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)Cl)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21Cl2N5O/c1-13(2)18(28)27-20(24-12-15-5-9-17(22)10-6-15)25-19(26-27)23-11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25,26)