methyl 4-azanyl-5-chloranyl-2,2-dimethyl-3-[1-[2-(3-methyl-6-oxidanylidene-pyridazin-1-yl)ethyl]-3-oxidanyl-piperidin-4-yl]-3H-1-benzofuran-7-carboxylate

Systemtic Name: methyl 4-azanyl-5-chloranyl-2,2-dimethyl-3-[1-[2-(3-methyl-6-oxidanylidene-pyridazin-1-yl)ethyl]-3-oxidanyl-piperidin-4-yl]-3H-1-benzofuran-7-carboxylate Openeye Name: methyl 4-amino-5-chloro-3-[3-hydroxy-1-[2-(3-methyl-6-oxo-pyridazin-1-yl)ethyl]-4-piperidyl]-2,2-dimethyl-3H-benzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-3-[3-hydroxy-1-[2-(3-methyl-6-oxo-1-pyridazinyl)ethyl]-4-piperidinyl]-2,2-dimethyl-3H-benzofuran-7-carboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-chloro-3-[3-hydroxy-1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-3-[3-hydroxy-1-[2-(6-keto-3-methyl-pyridazin-1-yl)ethyl]-4-piperidyl]-2,2-dimethyl-coumaran-7-carboxylic acid methyl ester Formula: C24H31ClN4O5 MolecularWeight: 490.97974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C=C1)CCN2CCC(C(C2)O)C3C4=C(C(=CC(=C4N)Cl)C(=O)OC)OC3(C)C

Isomeric SMILES

CC1=NN(C(=O)C=C1)CCN2CCC(C(C2)O)C3C4=C(C(=CC(=C4N)Cl)C(=O)OC)OC3(C)C

InChI

InChI=1S/C24H31ClN4O5/c1-13-5-6-18(31)29(27-13)10-9-28-8-7-14(17(30)12-28)20-19-21(26)16(25)11-15(23(32)33-4)22(19)34-24(20,2)3/h5-6,11,14,17,20,30H,7-10,12,26H2,1-4H3