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

Systemtic Name: N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide Openeye Name: N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide CAS Name: N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N1-propylpiperazine-1,2-dicarboxamide IUPAC Name: 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide Traditional Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-piperazine-1,2-dicarboxamide Formula: C28H36N8O4 MolecularWeight: 548.63664

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

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