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

Systemtic Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-[(4-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C18H18ClN5O MolecularWeight: 355.82142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O/c1-12(2)17(25)24-18(21-10-13-5-7-15(19)8-6-13)22-16(23-24)14-4-3-9-20-11-14/h3-9,11-12H,10H2,1-2H3,(H,21,22,23)