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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxamide Formula: C28H33ClN8O4 MolecularWeight: 581.06582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C28H33ClN8O4/c29-24-14-25(34-27(33-24)36-9-8-30-17-36)37-11-10-35(28(39)32-20-4-2-1-3-5-20)16-21(37)13-26(38)31-15-19-6-7-22-23(12-19)41-18-40-22/h6-9,12,14,17,20-21H,1-5,10-11,13,15-16,18H2,(H,31,38)(H,32,39)