butyl 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: butyl 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: 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C26H30ClN7O5 MolecularWeight: 556.0133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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