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

Systemtic Name: 2-butan-2-yl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-piperazin-1-ylphenyl)-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 4-(4-piperazinophenyl)-2-sec-butyl-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=C(C=C2)N3CCNCC3

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCNCC3

InChI

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