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

Systemtic Name: 1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O/c1-2-7-16(24)23-18(20-12-14-8-4-3-5-9-14)21-17(22-23)15-10-6-11-19-13-15/h3-6,8-11,13H,2,7,12H2,1H3,(H,20,21,22)