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

Systemtic Name: 1-[5-[(3-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-[(3-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-[(3-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-[(3-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-[(3-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C19H20ClN5O MolecularWeight: 369.848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O/c1-13(2)9-17(26)25-19(22-11-14-5-3-7-16(20)10-14)23-18(24-25)15-6-4-8-21-12-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23,24)