4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-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-6-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-6-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-6-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-6-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-6-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)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

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