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

Systemtic Name: 1-[[4-[(2,4-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: 1-[[4-[(2,4-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: 1-[[4-[(2,4-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: 1-[[4-[(2,4-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: 1-[[4-(2,4-dimethylbenzyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridyl)piperidin-4-ol Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O)C

InChI

InChI=1S/C29H35N3O2/c1-22-5-7-25(23(2)16-22)20-32-14-15-34-28-8-6-24(17-26(28)21-32)19-31-12-9-29(33,10-13-31)27-4-3-11-30-18-27/h3-8,11,16-18,33H,9-10,12-15,19-21H2,1-2H3