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

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2,5-dimethoxybenzyl)-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(=C(C=C1)OC)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

InChI

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