1-(4H-1,3-benzodioxin-6-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide

Systemtic Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide CAS Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-piperonyl-piperazine-2-carboxamide Formula: C29H29N7O5 MolecularWeight: 555.58446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC=NC(=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCOC7

Isomeric SMILES

C1CN(C(CN1C2=NC=NC(=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCOC7

InChI

InChI=1S/C29H29N7O5/c37-29(31-12-20-1-4-25-26(10-20)41-19-40-25)23-14-35(27-11-28(33-16-32-27)36-6-5-30-17-36)8-7-34(23)13-21-2-3-24-22(9-21)15-38-18-39-24/h1-6,9-11,16-17,23H,7-8,12-15,18-19H2,(H,31,37)