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

Systemtic Name: 4-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxidanylbutan-2-yl)-1,2,4-triazol-3-one Openeye Name: 2-(2-hydroxy-1-methyl-propyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one CAS Name: 2-(3-hydroxybutan-2-yl)-4-[4-(4-methyl-1-piperazinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-(3-hydroxybutan-2-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-(2-hydroxy-1-methyl-propyl)-4-[4-(4-methylpiperazino)phenyl]-1,2,4-triazol-3-one Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O2/c1-13(14(2)23)22-17(24)21(12-18-22)16-6-4-15(5-7-16)20-10-8-19(3)9-11-20/h4-7,12-14,23H,8-11H2,1-3H3