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

Systemtic Name: tert-butyl 6-(4-cyclohexylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-(4-cyclohexylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(4-cyclohexylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(4-cyclohexylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H37N3O3/c1-25(2,3)31-24(30)28-12-11-19-17-20(9-10-21(19)18-28)23(29)27-15-13-26(14-16-27)22-7-5-4-6-8-22/h9-10,17,22H,4-8,11-16,18H2,1-3H3