4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxyphenyl)carbonyl-piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxyphenyl)carbonyl-piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxybenzoyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(4-methoxyphenyl)-oxomethyl]-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxybenzoyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-p-anisoyl-piperazine-2-carboxamide Formula: C29H28ClN7O5 MolecularWeight: 590.02952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)NCC3COC4=CC=CC=C4O3)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)NCC3COC4=CC=CC=C4O3)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C29H28ClN7O5/c1-40-20-8-6-19(7-9-20)28(39)37-13-12-35(26-14-25(30)33-29(34-26)36-11-10-31-18-36)16-22(37)27(38)32-15-21-17-41-23-4-2-3-5-24(23)42-21/h2-11,14,18,21-22H,12-13,15-17H2,1H3,(H,32,38)