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

Systemtic Name: 3-[[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one Openeye Name: 3-[[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one CAS Name: 3-[[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one Traditional Name: 3-[[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromone Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)CC5=COC6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)CC5=COC6=CC=CC=C6C5=O

InChI

InChI=1S/C29H28N2O3/c32-29-25(20-34-28-8-4-3-7-26(28)29)19-31-13-14-33-27-10-9-21(15-24(27)18-31)16-30-12-11-22-5-1-2-6-23(22)17-30/h1-10,15,20H,11-14,16-19H2