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

Systemtic Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-2-carboxamide CAS Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N,1-dipiperonyl-piperazine-2-carboxamide Formula: C28H26ClN7O5 MolecularWeight: 576.00294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C28H26ClN7O5/c29-25-11-26(33-28(32-25)36-6-5-30-15-36)35-8-7-34(13-19-2-4-22-24(10-19)41-17-39-22)20(14-35)27(37)31-12-18-1-3-21-23(9-18)40-16-38-21/h1-6,9-11,15,20H,7-8,12-14,16-17H2,(H,31,37)