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

Systemtic Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide CAS Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-[6-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,1-dipiperonyl-piperazine-2-carboxamide Formula: C28H27N7O5 MolecularWeight: 541.55788

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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)OCO7

Isomeric SMILES

C1CN(C(CN1C2=NC=NC(=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C28H27N7O5/c36-28(30-12-19-1-3-22-24(9-19)39-17-37-22)21-14-34(26-11-27(32-15-31-26)35-6-5-29-16-35)8-7-33(21)13-20-2-4-23-25(10-20)40-18-38-23/h1-6,9-11,15-16,21H,7-8,12-14,17-18H2,(H,30,36)