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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3/c1-18(32-22-11-7-4-8-12-22)24(30)29-25(26-17-19-9-5-3-6-10-19)27-23(28-29)20-13-15-21(31-2)16-14-20/h3-16,18H,17H2,1-2H3,(H,26,27,28)