N2-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide Openeye Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide CAS Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N1-propylpiperazine-1,2-dicarboxamide IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide Traditional Name: 4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N'-piperonyl-N-propyl-piperazine-1,2-dicarboxamide Formula: C27H34N8O4 MolecularWeight: 534.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C27H34N8O4/c1-4-7-29-27(37)35-11-10-33(24-13-20(18(2)3)31-26(32-24)34-9-8-28-16-34)15-21(35)25(36)30-14-19-5-6-22-23(12-19)39-17-38-22/h5-6,8-9,12-13,16,18,21H,4,7,10-11,14-15,17H2,1-3H3,(H,29,37)(H,30,36)