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

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-10-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(4-phenyl-1-piperazinyl)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-9-keto-1,2,3-trimethoxy-10-(4-phenylpiperazino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C31H35N3O5 MolecularWeight: 529.6267

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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=CC=C5)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=CC=C5)OC)OC)OC

InChI

InChI=1S/C31H35N3O5/c1-20(35)32-25-12-10-21-18-28(37-2)30(38-3)31(39-4)29(21)23-11-13-26(27(36)19-24(23)25)34-16-14-33(15-17-34)22-8-6-5-7-9-22/h5-9,11,13,18-19,25H,10,12,14-17H2,1-4H3,(H,32,35)/t25-/m0/s1