N-[(7S)-10-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-10-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-10-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-10-[4-(4-fluorophenyl)-1-piperazinyl]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-10-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-10-[4-(4-fluorophenyl)piperazino]-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C31H34FN3O5 MolecularWeight: 547.617163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCN(CC4)C5=CC=C(C=C5)F)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCN(CC4)C5=CC=C(C=C5)F)OC)OC)OC

InChI

InChI=1S/C31H34FN3O5/c1-19(36)33-25-11-5-20-17-28(38-2)30(39-3)31(40-4)29(20)23-10-12-26(27(37)18-24(23)25)35-15-13-34(14-16-35)22-8-6-21(32)7-9-22/h6-10,12,17-18,25H,5,11,13-16H2,1-4H3,(H,33,36)/t25-/m0/s1