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

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl]-N-propyl-piperazine-1-carboxamide Formula: C26H31ClN8O4 MolecularWeight: 555.02854

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(C(C1)CC(=O)NCC2COC3=CC=CC=C3O2)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(C(C1)CC(=O)NCC2COC3=CC=CC=C3O2)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C26H31ClN8O4/c1-2-7-29-26(37)33-10-11-35(23-13-22(27)31-25(32-23)34-9-8-28-17-34)18(15-33)12-24(36)30-14-19-16-38-20-5-3-4-6-21(20)39-19/h3-6,8-9,13,17-19H,2,7,10-12,14-16H2,1H3,(H,29,37)(H,30,36)