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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-15(2)21(28)27-22(23-14-16-6-10-18(11-7-16)26(3)4)24-20(25-27)17-8-12-19(29-5)13-9-17/h6-13,15H,14H2,1-5H3,(H,23,24,25)