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

Systemtic Name: 4-(2,2-dimethylpropyl)-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(2,2-dimethylpropyl)-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(2,2-dimethylpropyl)-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(2,2-dimethylpropyl)-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-neopentyl-7-[[4-(3-pyridyloxy)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCOC2=C(C1)C=C(C=C2)CN3CCC(CC3)OC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)CN1CCOC2=C(C1)C=C(C=C2)CN3CCC(CC3)OC4=CN=CC=C4

InChI

InChI=1S/C25H35N3O2/c1-25(2,3)19-28-13-14-29-24-7-6-20(15-21(24)18-28)17-27-11-8-22(9-12-27)30-23-5-4-10-26-16-23/h4-7,10,15-16,22H,8-9,11-14,17-19H2,1-3H3