4-(2-chlorophenyl)-6-(4-imidazol-1-yl-4-oxidanylidene-butyl)-9-oxidanyl-pyrrolo[3,4-c]carbazole-1,3-dione

Systemtic Name: 4-(2-chlorophenyl)-6-(4-imidazol-1-yl-4-oxidanylidene-butyl)-9-oxidanyl-pyrrolo[3,4-c]carbazole-1,3-dione Openeye Name: 4-(2-chlorophenyl)-9-hydroxy-6-(4-imidazol-1-yl-4-oxo-butyl)pyrrolo[3,4-c]carbazole-1,3-dione CAS Name: 4-(2-chlorophenyl)-9-hydroxy-6-[4-(1-imidazolyl)-4-oxobutyl]pyrrolo[3,4-c]carbazole-1,3-dione IUPAC Name: 4-(2-chlorophenyl)-9-hydroxy-6-(4-imidazol-1-yl-4-oxobutyl)pyrrolo[3,4-c]carbazole-1,3-dione Traditional Name: 4-(2-chlorophenyl)-9-hydroxy-6-(4-imidazol-1-yl-4-keto-butyl)pyrrolo[3,4-c]carbazole-1,3-quinone Formula: C27H19ClN4O4 MolecularWeight: 498.91716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3CCCC(=O)N5C=CN=C5)C=CC(=C4)O)C6=C2C(=O)NC6=O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3CCCC(=O)N5C=CN=C5)C=CC(=C4)O)C6=C2C(=O)NC6=O)Cl

InChI

InChI=1S/C27H19ClN4O4/c28-19-5-2-1-4-16(19)17-13-21-23(25-24(17)26(35)30-27(25)36)18-12-15(33)7-8-20(18)32(21)10-3-6-22(34)31-11-9-29-14-31/h1-2,4-5,7-9,11-14,33H,3,6,10H2,(H,30,35,36)