2-butan-2-yl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-(4-methylpiperazin-1-yl)phenyl]-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-[4-(4-methyl-1-piperazinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one Traditional Name: 4-[4-(4-methylpiperazino)phenyl]-2-sec-butyl-1,2,4-triazol-3-one Formula: C17H25N5O MolecularWeight: 315.4133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C17H25N5O/c1-4-14(2)22-17(23)21(13-18-22)16-7-5-15(6-8-16)20-11-9-19(3)10-12-20/h5-8,13-14H,4,9-12H2,1-3H3