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

Systemtic Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-[(4-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C17H16ClN5O MolecularWeight: 341.79484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O/c1-2-15(24)23-17(20-10-12-5-7-14(18)8-6-12)21-16(22-23)13-4-3-9-19-11-13/h3-9,11H,2,10H2,1H3,(H,20,21,22)