4-[(2,3-dimethoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(2,3-dimethoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(2,3-dimethoxyphenyl)methyl]-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(2,3-dimethoxyphenyl)methyl]-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(2,3-dimethoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-o-veratryl-7-[[4-(3-pyridyloxy)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C29H35N3O4/c1-33-28-7-3-5-23(29(28)34-2)20-32-15-16-35-27-9-8-22(17-24(27)21-32)19-31-13-10-25(11-14-31)36-26-6-4-12-30-18-26/h3-9,12,17-18,25H,10-11,13-16,19-21H2,1-2H3