tert-butyl N-[[6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C23H31BrN2O4 MolecularWeight: 479.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H31BrN2O4/c1-5-6-11-29-20-18-12-16(24)9-10-17(18)21(27)26(14-15-7-8-15)19(20)13-25-22(28)30-23(2,3)4/h9-10,12,15H,5-8,11,13-14H2,1-4H3,(H,25,28)