tert-butyl 5-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[(4-methyl-1-piperazinyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-[(4-methylpiperazino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2CN3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2CN3CCN(CC3)C

InChI

InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-9-8-18-16(6-5-7-17(18)15-23)14-22-12-10-21(4)11-13-22/h5-7H,8-15H2,1-4H3