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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C3=NN(C(C3CC2)C4CCCC4)C5=CC(=C(C=C5)C#N)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C3=NN(C(C3CC2)C4CCCC4)C5=CC(=C(C=C5)C#N)Cl

InChI

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