(7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-yl-cyclopentyl]methanone

Systemtic Name: (7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-yl-cyclopentyl]methanone Openeye Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]methanone CAS Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-(4-oxanylamino)-1-propan-2-ylcyclopentyl]methanone IUPAC Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone Traditional Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]methanone Formula: C23H33BrN2O2 MolecularWeight: 449.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC(C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4)Br

Isomeric SMILES

CC(C)[C@@]1(CC[C@H](C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4)Br

InChI

InChI=1S/C23H33BrN2O2/c1-16(2)23(9-5-21(14-23)25-20-7-11-28-12-8-20)22(27)26-10-6-17-3-4-19(24)13-18(17)15-26/h3-4,13,16,20-21,25H,5-12,14-15H2,1-2H3/t21-,23+/m1/s1