2-(2-chloroethyl)-4-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one

Systemtic Name: 2-(2-chloroethyl)-4-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one Openeye Name: 2-(2-chloroethyl)-4-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one CAS Name: 2-(2-chloroethyl)-4-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one IUPAC Name: 2-(2-chloroethyl)-4-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one Traditional Name: 2-(2-chloroethyl)-4-(3,5-dimethoxybenzyl)-2,3-dihydro-1,4-benzoxazepin-5-one Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC(OC3=CC=CC=C3C2=O)CCCl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC(OC3=CC=CC=C3C2=O)CCCl)OC

InChI

InChI=1S/C20H22ClNO4/c1-24-16-9-14(10-17(11-16)25-2)12-22-13-15(7-8-21)26-19-6-4-3-5-18(19)20(22)23/h3-6,9-11,15H,7-8,12-13H2,1-2H3