(7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: (7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C27H29FN2O4 MolecularWeight: 464.528563

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=C(C=C4)F)OC)OC)OC

Isomeric SMILES

CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=C(C=C4)F)OC)OC)OC

InChI

InChI=1S/C27H29FN2O4/c1-29-21-11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19-10-12-22(23(31)14-20(19)21)30-15-16-5-8-18(28)9-6-16/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3,(H,30,31)/t21-/m0/s1