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

Systemtic Name: 1-[3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3,5-bis(veratrylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=NC(=N1)NCC2=CC(=C(C=C2)OC)OC)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(=O)N1C(=NC(=N1)NCC2=CC(=C(C=C2)OC)OC)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29N5O5/c1-6-21(29)28-23(25-14-16-8-10-18(31-3)20(12-16)33-5)26-22(27-28)24-13-15-7-9-17(30-2)19(11-15)32-4/h7-12H,6,13-14H2,1-5H3,(H2,24,25,26,27)