6-butyl-4-(2-chlorophenyl)-9-oxidanyl-8-(3-pyrrolidin-1-ylpropoxy)pyrrolo[3,4-c]carbazole-1,3-dione

Systemtic Name: 6-butyl-4-(2-chlorophenyl)-9-oxidanyl-8-(3-pyrrolidin-1-ylpropoxy)pyrrolo[3,4-c]carbazole-1,3-dione Openeye Name: 6-butyl-4-(2-chlorophenyl)-9-hydroxy-8-(3-pyrrolidin-1-ylpropoxy)pyrrolo[3,4-c]carbazole-1,3-dione CAS Name: 6-butyl-4-(2-chlorophenyl)-9-hydroxy-8-[3-(1-pyrrolidinyl)propoxy]pyrrolo[3,4-c]carbazole-1,3-dione IUPAC Name: 6-butyl-4-(2-chlorophenyl)-9-hydroxy-8-(3-pyrrolidin-1-ylpropoxy)pyrrolo[3,4-c]carbazole-1,3-dione Traditional Name: 6-butyl-4-(2-chlorophenyl)-9-hydroxy-8-(3-pyrrolidinopropoxy)pyrrolo[3,4-c]carbazole-1,3-quinone Formula: C31H32ClN3O4 MolecularWeight: 546.05648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C3=C1C=C(C4=C3C(=O)NC4=O)C5=CC=CC=C5Cl)O)OCCCN6CCCC6

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C3=C1C=C(C4=C3C(=O)NC4=O)C5=CC=CC=C5Cl)O)OCCCN6CCCC6

InChI

InChI=1S/C31H32ClN3O4/c1-2-3-14-35-23-18-26(39-15-8-13-34-11-6-7-12-34)25(36)17-21(23)27-24(35)16-20(19-9-4-5-10-22(19)32)28-29(27)31(38)33-30(28)37/h4-5,9-10,16-18,36H,2-3,6-8,11-15H2,1H3,(H,33,37,38)