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

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-cyclohexyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-cyclohexyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]piperazine-1-carboxamide Formula: C29H35ClN8O4 MolecularWeight: 595.0924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2CC(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2CC(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C29H35ClN8O4/c30-25-16-26(35-28(34-25)37-9-8-31-19-37)36-10-11-38(29(40)33-21-4-2-1-3-5-21)22(18-36)15-27(39)32-17-20-6-7-23-24(14-20)42-13-12-41-23/h6-9,14,16,19,21-22H,1-5,10-13,15,17-18H2,(H,32,39)(H,33,40)