[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone

Systemtic Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone Openeye Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-(1-methylindol-3-yl)methanone CAS Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-(1-methyl-3-indolyl)methanone IUPAC Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone Traditional Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-(1-methylindol-3-yl)methanone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCC(C3)N4CCC5=CC(=C(C=C5C4)OC)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N3CCC[C@@H](C3)N4CCC5=CC(=C(C=C5C4)OC)OC

InChI

InChI=1S/C26H31N3O3/c1-27-17-22(21-8-4-5-9-23(21)27)26(30)29-11-6-7-20(16-29)28-12-10-18-13-24(31-2)25(32-3)14-19(18)15-28/h4-5,8-9,13-14,17,20H,6-7,10-12,15-16H2,1-3H3/t20-/m0/s1