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

Systemtic Name: 2-(4-cyano-3-methyl-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid Openeye Name: 2-(4-cyano-3-methyl-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid CAS Name: 2-(4-cyano-3-methylphenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid IUPAC Name: 2-(4-cyano-3-methylphenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid Traditional Name: 2-(4-cyano-3-methyl-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenz[g]indazole-7-carboxylic acid Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(C3CCC4=C(C3=N2)C=CC(=C4)C(=O)O)C5CCCC5)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(C3CCC4=C(C3=N2)C=CC(=C4)C(=O)O)C5CCCC5)C#N

InChI

InChI=1S/C25H25N3O2/c1-15-12-20(9-6-19(15)14-26)28-24(16-4-2-3-5-16)22-11-7-17-13-18(25(29)30)8-10-21(17)23(22)27-28/h6,8-10,12-13,16,22,24H,2-5,7,11H2,1H3,(H,29,30)