3-[[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one

Systemtic Name: 3-[[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one Openeye Name: 3-[[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one CAS Name: 3-[[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one Traditional Name: 3-[[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromone Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCN(C3)CC4=COC5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCN(C3)CC4=COC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27NO4/c1-2-31-28(20-8-4-3-5-9-20)21-12-13-25-22(16-21)17-29(14-15-32-25)18-23-19-33-26-11-7-6-10-24(26)27(23)30/h3-13,16,19,28H,2,14-15,17-18H2,1H3