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

Systemtic Name: [(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-yl-cyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]-[7-(3-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: [(1S,3R)-3-(4-oxanylamino)-1-propan-2-ylcyclopentyl]-[7-(3-pyridinyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: [(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]-[7-(3-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C28H37N3O2 MolecularWeight: 447.61228

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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)C5=CN=CC=C5

Isomeric SMILES

CC(C)[C@@]1(CC[C@H](C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H37N3O2/c1-20(2)28(11-7-26(17-28)30-25-9-14-33-15-10-25)27(32)31-13-8-21-5-6-22(16-24(21)19-31)23-4-3-12-29-18-23/h3-6,12,16,18,20,25-26,30H,7-11,13-15,17,19H2,1-2H3/t26-,28+/m1/s1