tert-butyl 6-(4-cyclopentylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-(4-cyclopentylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(4-cyclopentyl-1-piperazinyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H35N3O3 MolecularWeight: 413.553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCN(CC3)C4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCN(CC3)C4CCCC4

InChI

InChI=1S/C24H35N3O3/c1-24(2,3)30-23(29)27-11-10-18-16-19(8-9-20(18)17-27)22(28)26-14-12-25(13-15-26)21-6-4-5-7-21/h8-9,16,21H,4-7,10-15,17H2,1-3H3