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

Systemtic Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[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)-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid methyl ester Formula: C23H24ClN7O5 MolecularWeight: 513.93356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C23H24ClN7O5/c1-34-23(33)29-6-7-31(20-10-19(24)27-22(28-20)30-5-4-25-13-30)16(12-29)9-21(32)26-11-15-2-3-17-18(8-15)36-14-35-17/h2-5,8,10,13,16H,6-7,9,11-12,14H2,1H3,(H,26,32)