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

Systemtic Name: N-cyclohexyl-3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-cyclohexyl-3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-cyclohexyl-3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-[2-(1-imidazolyl)-4-methyl-1H-pyrimidin-4-yl]-1-piperazinecarboxamide IUPAC Name: N-cyclohexyl-3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-cyclohexyl-3-[2-(homoveratrylamino)-2-keto-ethyl]-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C31H44N8O4 MolecularWeight: 592.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CNC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC(=C(C=C4)OC)OC)C(=O)NC5CCCCC5

Isomeric SMILES

CC1(C=CNC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC(=C(C=C4)OC)OC)C(=O)NC5CCCCC5

InChI

InChI=1S/C31H44N8O4/c1-31(12-14-34-29(36-31)38-16-15-32-22-38)39-18-17-37(30(41)35-24-7-5-4-6-8-24)21-25(39)20-28(40)33-13-11-23-9-10-26(42-2)27(19-23)43-3/h9-10,12,14-16,19,22,24-25H,4-8,11,13,17-18,20-21H2,1-3H3,(H,33,40)(H,34,36)(H,35,41)