(3S)-3-methyl-1-(2-methylpropyl)-4-[(1-phenethyl-1,2,3-triazol-4-yl)carbonyl]piperazin-2-one

Systemtic Name: (3S)-3-methyl-1-(2-methylpropyl)-4-[(1-phenethyl-1,2,3-triazol-4-yl)carbonyl]piperazin-2-one Openeye Name: (3S)-1-isobutyl-3-methyl-4-(1-phenethyltriazole-4-carbonyl)piperazin-2-one CAS Name: (3S)-3-methyl-1-(2-methylpropyl)-4-[oxo-(1-phenethyl-4-triazolyl)methyl]-2-piperazinone IUPAC Name: (3S)-3-methyl-1-(2-methylpropyl)-4-(1-phenethyltriazole-4-carbonyl)piperazin-2-one Traditional Name: (3S)-1-isobutyl-3-methyl-4-(1-phenethyltriazole-4-carbonyl)piperazin-2-one Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C2=CN(N=N2)CCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C(=O)C2=CN(N=N2)CCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C20H27N5O2/c1-15(2)13-23-11-12-25(16(3)19(23)26)20(27)18-14-24(22-21-18)10-9-17-7-5-4-6-8-17/h4-8,14-16H,9-13H2,1-3H3/t16-/m0/s1