9-methoxy-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-4-(4-methoxy-2,5-dimethyl-benzyl)-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4)C)OC

InChI

InChI=1S/C25H28N2O3/c1-17-11-23(28-3)18(2)10-21(17)15-27-8-9-30-25-22(16-27)12-20(13-24(25)29-4)19-6-5-7-26-14-19/h5-7,10-14H,8-9,15-16H2,1-4H3