1-[2-(1,3-benzodioxol-5-yl)ethanoyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethanoyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-N-[(4-methoxyphenyl)methyl]-2-piperazinecarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-p-anisyl-piperazine-2-carboxamide Formula: C29H29N7O5 MolecularWeight: 555.58446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)CC3=CC4=C(C=C3)OCO4)C5=NC=NC(=C5)N6C=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)CC3=CC4=C(C=C3)OCO4)C5=NC=NC(=C5)N6C=CN=C6

InChI

InChI=1S/C29H29N7O5/c1-39-22-5-2-20(3-6-22)15-31-29(38)23-16-34(26-14-27(33-17-32-26)35-9-8-30-18-35)10-11-36(23)28(37)13-21-4-7-24-25(12-21)41-19-40-24/h2-9,12,14,17-18,23H,10-11,13,15-16,19H2,1H3,(H,31,38)