1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC4=CC=CC=C4C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC4=CC=CC=C4C3)OC1

InChI

InChI=1S/C22H23NO4/c24-19(17-6-8-20-21(14-17)27-13-3-12-26-20)7-9-22(25)23-11-10-16-4-1-2-5-18(16)15-23/h1-2,4-6,8,14H,3,7,9-13,15H2