3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride

Systemtic Name: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride Openeye Name: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride CAS Name: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)-2-piperazinone dihydrochloride IUPAC Name: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride Traditional Name: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride Formula: C16H23Cl2N5O MolecularWeight: 372.29272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NCCN1C2=CC=CC=C2)N3C=NN=C3.Cl.Cl

Isomeric SMILES

CCCCC1(C(=O)NCCN1C2=CC=CC=C2)N3C=NN=C3.Cl.Cl

InChI

InChI=1S/C16H21N5O.2ClH/c1-2-3-9-16(20-12-18-19-13-20)15(22)17-10-11-21(16)14-7-5-4-6-8-14;;/h4-8,12-13H,2-3,9-11H2,1H3,(H,17,22);2*1H