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

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-(p-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2/c1-3-16(24)23-18(20-11-13-6-8-15(25-2)9-7-13)21-17(22-23)14-5-4-10-19-12-14/h4-10,12H,3,11H2,1-2H3,(H,20,21,22)