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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CCCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCNCC3

InChI

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