[4-[(3S)-4-[(1S,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]-isoquinolin-5-yl-methanone

Systemtic Name: [4-[(3S)-4-[(1S,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]-isoquinolin-5-yl-methanone Openeye Name: [4-[(3S)-4-[(1S,2R)-2-ethoxy-5-(trifluoromethyl)indan-1-yl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]-(5-isoquinolyl)methanone CAS Name: [4-[(3S)-4-[(1S,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]-(5-isoquinolinyl)methanone IUPAC Name: [4-[(3S)-4-[(1S,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-isoquinolin-5-ylmethanone Traditional Name: [4-[(3S)-4-[(1S,2R)-2-ethoxy-5-(trifluoromethyl)indan-1-yl]-3-methyl-piperazino]-4-methyl-piperidino]-(5-isoquinolyl)methanone Formula: C33H39F3N4O2 MolecularWeight: 580.68357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC2=C(C1N3CCN(CC3C)C4(CCN(CC4)C(=O)C5=CC=CC6=C5C=CN=C6)C)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CCO[C@@H]1CC2=C([C@@H]1N3CCN(C[C@@H]3C)C4(CCN(CC4)C(=O)C5=CC=CC6=C5C=CN=C6)C)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C33H39F3N4O2/c1-4-42-29-19-24-18-25(33(34,35)36)8-9-27(24)30(29)40-17-16-39(21-22(40)2)32(3)11-14-38(15-12-32)31(41)28-7-5-6-23-20-37-13-10-26(23)28/h5-10,13,18,20,22,29-30H,4,11-12,14-17,19,21H2,1-3H3/t22-,29+,30-/m0/s1