1-(4H-1,3-benzodioxin-6-ylmethyl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide

Systemtic Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide CAS Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 1-(4H-1,3-benzodioxin-6-ylmethyl)-N-homopiperonyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide Formula: C31H33N7O5 MolecularWeight: 583.63762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCOC7

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCOC7

InChI

InChI=1S/C31H33N7O5/c1-21-12-29(35-31(34-21)38-9-8-32-18-38)37-11-10-36(15-23-3-4-26-24(13-23)17-40-19-41-26)25(16-37)30(39)33-7-6-22-2-5-27-28(14-22)43-20-42-27/h2-5,8-9,12-14,18,25H,6-7,10-11,15-17,19-20H2,1H3,(H,33,39)