(4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: (4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-(piperonylcarbamoyl)piperazine-1-carboxylic acid (4-methoxyphenyl) ester Formula: C29H29N7O6 MolecularWeight: 571.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OC6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OC6=CC=C(C=C6)OC

InChI

InChI=1S/C29H29N7O6/c1-19-13-26(33-28(32-19)35-10-9-30-17-35)34-11-12-36(29(38)42-22-6-4-21(39-2)5-7-22)23(16-34)27(37)31-15-20-3-8-24-25(14-20)41-18-40-24/h3-10,13-14,17,23H,11-12,15-16,18H2,1-2H3,(H,31,37)