1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c1-13(23)22-18(19-12-14-6-4-3-5-7-14)20-17(21-22)15-8-10-16(24-2)11-9-15/h3-11H,12H2,1-2H3,(H,19,20,21)