5-oxidanyl-6-[(4-pentan-2-ylphenyl)amino]benzo[de]isoquinoline-1,3-dione hydrochloride

Systemtic Name: 5-oxidanyl-6-[(4-pentan-2-ylphenyl)amino]benzo[de]isoquinoline-1,3-dione hydrochloride Openeye Name: 5-hydroxy-6-[4-(1-methylbutyl)anilino]benzo[de]isoquinoline-1,3-dione hydrochloride CAS Name: 5-hydroxy-6-(4-pentan-2-ylanilino)benzo[de]isoquinoline-1,3-dione hydrochloride IUPAC Name: 5-hydroxy-6-(4-pentan-2-ylanilino)benzo[de]isoquinoline-1,3-dione hydrochloride Traditional Name: 5-hydroxy-6-[4-(1-methylbutyl)anilino]benzo[de]isoquinoline-1,3-quinone hydrochloride Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=C(C=C1)NC2=C(C=C3C4=C2C=CC=C4C(=O)NC3=O)O.Cl

Isomeric SMILES

CCCC(C)C1=CC=C(C=C1)NC2=C(C=C3C4=C2C=CC=C4C(=O)NC3=O)O.Cl

InChI

InChI=1S/C23H22N2O3.ClH/c1-3-5-13(2)14-8-10-15(11-9-14)24-21-16-6-4-7-17-20(16)18(12-19(21)26)23(28)25-22(17)27;/h4,6-13,24,26H,3,5H2,1-2H3,(H,25,27,28);1H