N-(1,3-benzodioxol-5-ylmethyl)-2-[1,4-bis(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,4-bis(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,4-bis(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,4-bis[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,4-bis(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[1,4-bis(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C28H25Cl2N11O3 MolecularWeight: 634.476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC(=NC(=N6)N7C=CN=C7)Cl

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC(=NC(=N6)N7C=CN=C7)Cl

InChI

InChI=1S/C28H25Cl2N11O3/c29-22-11-24(36-27(34-22)39-5-3-31-15-39)38-7-8-41(25-12-23(30)35-28(37-25)40-6-4-32-16-40)19(14-38)10-26(42)33-13-18-1-2-20-21(9-18)44-17-43-20/h1-6,9,11-12,15-16,19H,7-8,10,13-14,17H2,(H,33,42)