N-[[2-oxidanylidene-3-[4-[5-oxidanylidene-4-(prop-2-ynylamino)cyclohepta-1,3,6-trien-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]ethanamide

Systemtic Name: N-[[2-oxidanylidene-3-[4-[5-oxidanylidene-4-(prop-2-ynylamino)cyclohepta-1,3,6-trien-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]ethanamide Openeye Name: N-[[2-oxo-3-[4-[5-oxo-4-(prop-2-ynylamino)cyclohepta-1,3,6-trien-1-yl]phenyl]oxazolidin-5-yl]methyl]acetamide CAS Name: N-[[2-oxo-3-[4-[5-oxo-4-(prop-2-ynylamino)-1-cyclohepta-1,3,6-trienyl]phenyl]-5-oxazolidinyl]methyl]acetamide IUPAC Name: N-[[2-oxo-3-[4-[5-oxo-4-(prop-2-ynylamino)cyclohepta-1,3,6-trien-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide Traditional Name: N-[[2-keto-3-[4-[5-keto-4-(propargylamino)cyclohepta-1,3,6-trien-1-yl]phenyl]oxazolidin-5-yl]methyl]acetamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CN(C(=O)O1)C2=CC=C(C=C2)C3=CC=C(C(=O)C=C3)NCC#C

Isomeric SMILES

CC(=O)NCC1CN(C(=O)O1)C2=CC=C(C=C2)C3=CC=C(C(=O)C=C3)NCC#C

InChI

InChI=1S/C22H21N3O4/c1-3-12-23-20-10-6-17(7-11-21(20)27)16-4-8-18(9-5-16)25-14-19(29-22(25)28)13-24-15(2)26/h1,4-11,19H,12-14H2,2H3,(H,23,27)(H,24,26)