4-[(2,5-dimethoxyphenyl)methyl]-9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2,5-dimethoxybenzyl)-9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H29NO4/c1-18-5-7-19(8-6-18)20-13-22-17-27(11-12-31-26(22)25(15-20)30-4)16-21-14-23(28-2)9-10-24(21)29-3/h5-10,13-15H,11-12,16-17H2,1-4H3