tert-butyl 3-[3-[4-[3-[(7-chloranylquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[3-[4-[3-[(7-chloranylquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[3-[4-[3-[(7-chloro-4-quinolyl)amino]propyl]piperazin-1-yl]propylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[3-[4-[3-[(7-chloro-4-quinolinyl)amino]propyl]-1-piperazinyl]propylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[3-[4-[3-[(7-chloro-4-quinolyl)amino]propyl]piperazino]propylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C33H45ClN6O2 MolecularWeight: 593.2024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1NCCCN3CCN(CC3)CCCNC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1NCCCN3CCN(CC3)CCCNC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C33H45ClN6O2/c1-33(2,3)42-32(41)40-24-26-9-5-4-8-25(26)22-31(40)37-14-7-17-39-20-18-38(19-21-39)16-6-13-35-29-12-15-36-30-23-27(34)10-11-28(29)30/h4-5,8-12,15,23,31,37H,6-7,13-14,16-22,24H2,1-3H3,(H,35,36)