2-(3-chloranyl-4-cyano-phenyl)-3-cyclopentyl-3a-methyl-4,5-dihydro-3H-benzo[g]indazole-7-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-cyano-phenyl)-3-cyclopentyl-3a-methyl-4,5-dihydro-3H-benzo[g]indazole-7-carboxylic acid Openeye Name: 2-(3-chloro-4-cyano-phenyl)-3-cyclopentyl-3a-methyl-4,5-dihydro-3H-benzo[g]indazole-7-carboxylic acid CAS Name: 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3a-methyl-4,5-dihydro-3H-benzo[g]indazole-7-carboxylic acid IUPAC Name: 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3a-methyl-4,5-dihydro-3H-benzo[g]indazole-7-carboxylic acid Traditional Name: 2-(3-chloro-4-cyano-phenyl)-3-cyclopentyl-3a-methyl-4,5-dihydro-3H-benz[g]indazole-7-carboxylic acid Formula: C25H24ClN3O2 MolecularWeight: 433.92996

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1=NN(C2C4CCCC4)C5=CC(=C(C=C5)C#N)Cl)C=CC(=C3)C(=O)O

Isomeric SMILES

CC12CCC3=C(C1=NN(C2C4CCCC4)C5=CC(=C(C=C5)C#N)Cl)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H24ClN3O2/c1-25-11-10-16-12-17(24(30)31)7-9-20(16)22(25)28-29(23(25)15-4-2-3-5-15)19-8-6-18(14-27)21(26)13-19/h6-9,12-13,15,23H,2-5,10-11H2,1H3,(H,30,31)