tert-butyl N-[4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-2-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)isoquinolin-3-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-2-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)isoquinolin-3-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-butoxy-6,7-dichloro-1-oxo-2-(3-oxo-3-pyrrolidin-1-yl-propyl)-3-isoquinolyl]-N-methyl-carbamate CAS Name: N-[4-butoxy-6,7-dichloro-1-oxo-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-3-isoquinolinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-butoxy-6,7-dichloro-1-oxo-2-(3-oxo-3-pyrrolidin-1-ylpropyl)isoquinolin-3-yl]-N-methylcarbamate Traditional Name: N-[4-butoxy-6,7-dichloro-1-keto-2-(3-keto-3-pyrrolidino-propyl)-3-isoquinolyl]-N-methyl-carbamic acid tert-butyl ester Formula: C26H35Cl2N3O5 MolecularWeight: 540.4792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CCC(=O)N3CCCC3)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CCC(=O)N3CCCC3)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H35Cl2N3O5/c1-6-7-14-35-22-17-15-19(27)20(28)16-18(17)24(33)31(13-10-21(32)30-11-8-9-12-30)23(22)29(5)25(34)36-26(2,3)4/h15-16H,6-14H2,1-5H3