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

Systemtic Name: tert-butyl 3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[3-(4-methylpiperazino)propylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN3CCN(CC3)C

InChI

InChI=1S/C23H36N4O3/c1-23(2,3)30-22(29)27-17-19-9-6-5-8-18(19)16-20(27)21(28)24-10-7-11-26-14-12-25(4)13-15-26/h5-6,8-9,20H,7,10-17H2,1-4H3,(H,24,28)