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

Systemtic Name: 2-methoxyethyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: 2-methoxyethyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-(homopiperonylcarbamoyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C28H35N7O6 MolecularWeight: 565.6208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)OCCOC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)OCCOC

InChI

InChI=1S/C28H35N7O6/c1-19(2)21-15-25(32-27(31-21)34-9-8-29-17-34)33-10-11-35(28(37)39-13-12-38-3)22(16-33)26(36)30-7-6-20-4-5-23-24(14-20)41-18-40-23/h4-5,8-9,14-15,17,19,22H,6-7,10-13,16,18H2,1-3H3,(H,30,36)