3-[4-(4-aminophenyl)piperazin-1-yl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-(4-aminophenyl)piperazin-1-yl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-(4-aminophenyl)piperazin-1-yl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[4-(4-aminophenyl)-1-piperazinyl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-(4-aminophenyl)piperazin-1-yl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(4-aminophenyl)piperazino]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one Formula: C21H24N6O MolecularWeight: 376.45486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)N3CCN(CC3)C4=CC=C(C=C4)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)N3CCN(CC3)C4=CC=C(C=C4)N)C

InChI

InChI=1S/C21H24N6O/c1-14-3-4-16(13-15(14)2)19-20(28)23-21(25-24-19)27-11-9-26(10-12-27)18-7-5-17(22)6-8-18/h3-8,13H,9-12,22H2,1-2H3,(H,23,25,28)