3-[4-(2-methylpropoxy)phenyl]-6-(3-oxidanylidene-3-piperidin-1-yl-propyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-(2-methylpropoxy)phenyl]-6-(3-oxidanylidene-3-piperidin-1-yl-propyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(4-isobutoxyphenyl)-6-[3-oxo-3-(1-piperidyl)propyl]-2H-1,2,4-triazin-5-one CAS Name: 3-[4-(2-methylpropoxy)phenyl]-6-[3-oxo-3-(1-piperidinyl)propyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-(2-methylpropoxy)phenyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-isobutoxyphenyl)-6-(3-keto-3-piperidino-propyl)-2H-1,2,4-triazin-5-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCCCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O3/c1-15(2)14-28-17-8-6-16(7-9-17)20-22-21(27)18(23-24-20)10-11-19(26)25-12-4-3-5-13-25/h6-9,15H,3-5,10-14H2,1-2H3,(H,22,24,27)