2-(4-bromophenyl)-8-cyclohexyl-3-oxidanylidene-1H-pyridazino[4,3-b]indole-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-8-cyclohexyl-3-oxidanylidene-1H-pyridazino[4,3-b]indole-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)-8-cyclohexyl-3-oxo-1H-pyridazino[4,3-b]indole-4-carboxylic acid CAS Name: 2-(4-bromophenyl)-8-cyclohexyl-3-oxo-1H-pyridazino[4,3-b]indole-4-carboxylic acid IUPAC Name: 2-(4-bromophenyl)-8-cyclohexyl-3-oxo-1H-pyridazino[4,3-b]indole-4-carboxylic acid Traditional Name: 2-(4-bromophenyl)-8-cyclohexyl-3-keto-1H-pyridazin[4,3-b]indole-4-carboxylic acid Formula: C23H20BrN3O3 MolecularWeight: 466.3272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C4C(=C(C(=O)N(N4)C5=CC=C(C=C5)Br)C(=O)O)N=C3C=C2

Isomeric SMILES

C1CCC(CC1)C2=CC3=C4C(=C(C(=O)N(N4)C5=CC=C(C=C5)Br)C(=O)O)N=C3C=C2

InChI

InChI=1S/C23H20BrN3O3/c24-15-7-9-16(10-8-15)27-22(28)19(23(29)30)21-20(26-27)17-12-14(6-11-18(17)25-21)13-4-2-1-3-5-13/h6-13,26H,1-5H2,(H,29,30)