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

Systemtic Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-[(4-chlorobenzyl)amino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c1-13(2)19(26)25-20(22-12-14-4-8-16(21)9-5-14)23-18(24-25)15-6-10-17(27-3)11-7-15/h4-11,13H,12H2,1-3H3,(H,22,23,24)