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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-5-19(27)26-21(22-14-16-8-12-18(13-9-16)25(3)4)23-20(24-26)17-10-6-15(2)7-11-17/h6-13H,5,14H2,1-4H3,(H,22,23,24)