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

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(p-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2/c1-3-5-17(25)24-19(21-12-14-7-9-16(26-2)10-8-14)22-18(23-24)15-6-4-11-20-13-15/h4,6-11,13H,3,5,12H2,1-2H3,(H,21,22,23)