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

Systemtic Name: 2-pentan-3-yl-5-(2-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(1-ethylpropyl)-5-(2-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-pentan-3-yl-5-[2-(1-piperazinyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-pentan-3-yl-5-(2-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(1-ethylpropyl)-5-(2-piperazinophenyl)-1H-1,2,4-triazol-3-one Formula: C17H25N5O MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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