1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methoxy-ethanone Openeye Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone CAS Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-methoxyethanone IUPAC Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methoxyethanone Traditional Name: 1-[5-[(4-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Formula: C17H16ClN5O2 MolecularWeight: 357.79424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O2/c1-25-11-15(24)23-17(20-9-12-4-6-14(18)7-5-12)21-16(22-23)13-3-2-8-19-10-13/h2-8,10H,9,11H2,1H3,(H,20,21,22)