4-(2-chlorophenyl)-6-methyl-8-(3-oxidanylbutyl)pyrrolo[3,4-e]indole-1,3-dione

Systemtic Name: 4-(2-chlorophenyl)-6-methyl-8-(3-oxidanylbutyl)pyrrolo[3,4-e]indole-1,3-dione Openeye Name: 4-(2-chlorophenyl)-8-(3-hydroxybutyl)-6-methyl-pyrrolo[3,4-e]indole-1,3-dione CAS Name: 4-(2-chlorophenyl)-8-(3-hydroxybutyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione IUPAC Name: 4-(2-chlorophenyl)-8-(3-hydroxybutyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione Traditional Name: 4-(2-chlorophenyl)-8-(3-hydroxybutyl)-6-methyl-pyrrol[3,4-e]indole-1,3-quinone Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CN(C2=C1C3=C(C(=C2)C4=CC=CC=C4Cl)C(=O)NC3=O)C)O

Isomeric SMILES

CC(CCC1=CN(C2=C1C3=C(C(=C2)C4=CC=CC=C4Cl)C(=O)NC3=O)C)O

InChI

InChI=1S/C21H19ClN2O3/c1-11(25)7-8-12-10-24(2)16-9-14(13-5-3-4-6-15(13)22)18-19(17(12)16)21(27)23-20(18)26/h3-6,9-11,25H,7-8H2,1-2H3,(H,23,26,27)