(phenylmethyl) 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-(homopiperonylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylic acid benzyl ester Formula: C30H31N7O5 MolecularWeight: 569.61104

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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)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C30H31N7O5/c1-21-15-27(34-29(33-21)36-12-11-31-19-36)35-13-14-37(30(39)40-18-23-5-3-2-4-6-23)24(17-35)28(38)32-10-9-22-7-8-25-26(16-22)42-20-41-25/h2-8,11-12,15-16,19,24H,9-10,13-14,17-18,20H2,1H3,(H,32,38)