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

Systemtic Name: 4-(2-chlorophenyl)-6-(3-imidazol-1-yl-3-oxidanylidene-propyl)-9-oxidanyl-pyrrolo[3,4-c]carbazole-1,3-dione Openeye Name: 4-(2-chlorophenyl)-9-hydroxy-6-(3-imidazol-1-yl-3-oxo-propyl)pyrrolo[3,4-c]carbazole-1,3-dione CAS Name: 4-(2-chlorophenyl)-9-hydroxy-6-[3-(1-imidazolyl)-3-oxopropyl]pyrrolo[3,4-c]carbazole-1,3-dione IUPAC Name: 4-(2-chlorophenyl)-9-hydroxy-6-(3-imidazol-1-yl-3-oxopropyl)pyrrolo[3,4-c]carbazole-1,3-dione Traditional Name: 4-(2-chlorophenyl)-9-hydroxy-6-(3-imidazol-1-yl-3-keto-propyl)pyrrolo[3,4-c]carbazole-1,3-quinone Formula: C26H17ClN4O4 MolecularWeight: 484.89058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3CCC(=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(N3CCC(=O)N5C=CN=C5)C=CC(=C4)O)C6=C2C(=O)NC6=O)Cl

InChI

InChI=1S/C26H17ClN4O4/c27-18-4-2-1-3-15(18)16-12-20-22(24-23(16)25(34)29-26(24)35)17-11-14(32)5-6-19(17)31(20)9-7-21(33)30-10-8-28-13-30/h1-6,8,10-13,32H,7,9H2,(H,29,34,35)