(7S)-1,2,3-trimethoxy-7-(methylamino)-10-piperidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-piperidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(1-piperidyl)-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(1-piperidinyl)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-piperidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-piperidino-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCCCC4)OC)OC)OC

Isomeric SMILES

CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCCCC4)OC)OC)OC

InChI

InChI=1S/C25H32N2O4/c1-26-19-10-8-16-14-22(29-2)24(30-3)25(31-4)23(16)17-9-11-20(21(28)15-18(17)19)27-12-6-5-7-13-27/h9,11,14-15,19,26H,5-8,10,12-13H2,1-4H3/t19-/m0/s1