2-[1-(4H-1,3-benzodioxin-6-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[1-(4H-1,3-benzodioxin-6-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[1-(4H-1,3-benzodioxin-6-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[1-(4H-1,3-benzodioxin-6-ylmethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[1-(4H-1,3-benzodioxin-6-ylmethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[1-(4H-1,3-benzodioxin-6-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-p-anisyl-acetamide Formula: C30H32ClN7O4 MolecularWeight: 590.07258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CC2CN(CCN2CC3=CC4=C(C=C3)OCOC4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CC2CN(CCN2CC3=CC4=C(C=C3)OCOC4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C30H32ClN7O4/c1-40-25-5-2-21(3-6-25)15-33-29(39)13-24-17-37(28-14-27(31)34-30(35-28)38-9-8-32-19-38)11-10-36(24)16-22-4-7-26-23(12-22)18-41-20-42-26/h2-9,12,14,19,24H,10-11,13,15-18,20H2,1H3,(H,33,39)