2-[[6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-keto-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C26H25BrN2O4 MolecularWeight: 509.3917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H25BrN2O4/c1-2-3-12-33-23-21-13-17(27)10-11-20(21)24(30)28(14-16-8-9-16)22(23)15-29-25(31)18-6-4-5-7-19(18)26(29)32/h4-7,10-11,13,16H,2-3,8-9,12,14-15H2,1H3