5-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C24H28N3O4+ MolecularWeight: 422.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CN4C(=O)CCOC5=CC=CC=C54

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CN4C(=O)CCOC5=CC=CC=C54

InChI

InChI=1S/C24H27N3O4/c28-23-8-14-31-22-4-2-1-3-20(22)27(23)17-24(29)26-11-9-25(10-12-26)16-18-5-6-21-19(15-18)7-13-30-21/h1-6,15H,7-14,16-17H2/p+1