3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]-N-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-cyclohexyl-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-cyclohexyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-cyclohexyl-3-[2-(homopiperonylamino)-2-keto-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C30H38N8O4 MolecularWeight: 574.67392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)NC6CCCCC6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)NC6CCCCC6

InChI

InChI=1S/C30H38N8O4/c1-21-15-27(35-29(33-21)37-12-11-31-19-37)38-14-13-36(30(40)34-23-5-3-2-4-6-23)18-24(38)17-28(39)32-10-9-22-7-8-25-26(16-22)42-20-41-25/h7-8,11-12,15-16,19,23-24H,2-6,9-10,13-14,17-18,20H2,1H3,(H,32,39)(H,34,40)