3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-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-propan-2-yl-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-isopropyl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-3-[2-keto-2-(piperonylamino)ethyl]-N-propyl-piperazine-1-carboxamide Formula: C28H36N8O4 MolecularWeight: 548.63664

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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(C)C)N5C=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H36N8O4/c1-4-7-30-28(38)34-10-11-36(25-14-22(19(2)3)32-27(33-25)35-9-8-29-17-35)21(16-34)13-26(37)31-15-20-5-6-23-24(12-20)40-18-39-23/h5-6,8-9,12,14,17,19,21H,4,7,10-11,13,15-16,18H2,1-3H3,(H,30,38)(H,31,37)