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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-3-[2-keto-2-(piperonylamino)ethyl]-N-propyl-piperazine-1-carboxamide Formula: C26H32N8O4 MolecularWeight: 520.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CCCNC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C26H32N8O4/c1-3-6-28-26(36)32-9-10-34(23-11-18(2)30-25(31-23)33-8-7-27-16-33)20(15-32)13-24(35)29-14-19-4-5-21-22(12-19)38-17-37-21/h4-5,7-8,11-12,16,20H,3,6,9-10,13-15,17H2,1-2H3,(H,28,36)(H,29,35)