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

Systemtic Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[3,5-bis(p-anisylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O3/c1-34-23-13-8-21(9-14-23)18-28-26-30-27(29-19-22-10-15-24(35-2)16-11-22)32(31-26)25(33)17-12-20-6-4-3-5-7-20/h3-11,13-16H,12,17-19H2,1-2H3,(H2,28,29,30,31)