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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)C(C)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)C(C)OC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O2/c1-19-10-14-22(15-11-19)25-29-27(28-18-21-12-16-23(17-13-21)31(3)4)32(30-25)26(33)20(2)34-24-8-6-5-7-9-24/h5-17,20H,18H2,1-4H3,(H,28,29,30)