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

Systemtic Name: 4-[(4-ethoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(4-ethoxyphenyl)methyl]-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(4-ethoxyphenyl)methyl]-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(4-ethoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(4-ethoxybenzyl)-7-[[4-(3-pyridyloxy)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C29H35N3O3/c1-2-33-26-8-5-23(6-9-26)20-32-16-17-34-29-10-7-24(18-25(29)22-32)21-31-14-11-27(12-15-31)35-28-4-3-13-30-19-28/h3-10,13,18-19,27H,2,11-12,14-17,20-22H2,1H3