butan-2-yl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: butan-2-yl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: sec-butyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid sec-butyl ester Formula: C26H30ClN7O5 MolecularWeight: 556.0133

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCC(C)OC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C26H30ClN7O5/c1-3-17(2)39-26(36)34-9-8-32(23-12-22(27)30-25(31-23)33-7-6-28-15-33)14-19(34)11-24(35)29-13-18-4-5-20-21(10-18)38-16-37-20/h4-7,10,12,15,17,19H,3,8-9,11,13-14,16H2,1-2H3,(H,29,35)