2-butan-2-yl-5-(2-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-5-(2-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-(2-piperazin-1-ylphenyl)-2-sec-butyl-1H-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-5-[2-(1-piperazinyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-5-(2-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-(2-piperazinophenyl)-2-sec-butyl-1H-1,2,4-triazol-3-one Formula: C16H23N5O MolecularWeight: 301.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N=C(N1)C2=CC=CC=C2N3CCNCC3

Isomeric SMILES

CCC(C)N1C(=O)N=C(N1)C2=CC=CC=C2N3CCNCC3

InChI

InChI=1S/C16H23N5O/c1-3-12(2)21-16(22)18-15(19-21)13-6-4-5-7-14(13)20-10-8-17-9-11-20/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,19,22)