1-[[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol

Systemtic Name: 1-[[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: 1-[[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: 1-[[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: 1-[[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: 4-(3-pyridyl)-1-[(4-veratryl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-4-ol Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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