1-[4-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol

Systemtic Name: 1-[4-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol Openeye Name: 1-[4-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol CAS Name: 1-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol IUPAC Name: 1-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol Traditional Name: 1-[4-(2-chloro-3,4-dimethoxy-benzyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)C(CC4=CC=CC=C4)O)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)C(CC4=CC=CC=C4)O)Cl)OC

InChI

InChI=1S/C26H28ClNO4/c1-30-24-11-9-20(25(27)26(24)31-2)16-28-12-13-32-23-10-8-19(15-21(23)17-28)22(29)14-18-6-4-3-5-7-18/h3-11,15,22,29H,12-14,16-17H2,1-2H3