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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2/c1-19(33-23-12-8-5-9-13-23)25(32)31-26(28-24(29-31)21-10-6-4-7-11-21)27-18-20-14-16-22(17-15-20)30(2)3/h4-17,19H,18H2,1-3H3,(H,27,28,29)