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

Systemtic Name: N-[1,2,3-trimethoxy-9-oxidanylidene-10-(pyridin-4-ylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[1,2,3-trimethoxy-9-oxo-10-(4-pyridylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[1,2,3-trimethoxy-9-oxo-10-(pyridin-4-ylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[1,2,3-trimethoxy-9-oxo-10-(pyridin-4-ylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[9-keto-1,2,3-trimethoxy-10-(4-pyridylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC4=CC=NC=C4)OC)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC4=CC=NC=C4)OC)OC)OC

InChI

InChI=1S/C26H27N3O5/c1-15(30)28-20-7-5-16-13-23(32-2)25(33-3)26(34-4)24(16)18-6-8-21(22(31)14-19(18)20)29-17-9-11-27-12-10-17/h6,8-14,20H,5,7H2,1-4H3,(H,28,30)(H,27,29,31)