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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-keto-2-(piperonylamino)ethyl]-N-propyl-piperazine-1-carboxamide Formula: C25H29ClN8O4 MolecularWeight: 541.00196

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H29ClN8O4/c1-2-5-28-25(36)34-9-8-32(22-12-21(26)30-24(31-22)33-7-6-27-15-33)14-18(34)11-23(35)29-13-17-3-4-19-20(10-17)38-16-37-19/h3-4,6-7,10,12,15,18H,2,5,8-9,11,13-14,16H2,1H3,(H,28,36)(H,29,35)