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

Systemtic Name: 4-(cyclohex-3-en-1-ylmethyl)-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(cyclohex-3-en-1-ylmethyl)-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(1-cyclohex-3-enylmethyl)-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(cyclohex-3-en-1-ylmethyl)-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(cyclohex-3-en-1-ylmethyl)-7-[[4-(3-pyridyloxy)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

C1CC(CC=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C27H35N3O2/c1-2-5-22(6-3-1)19-30-15-16-31-27-9-8-23(17-24(27)21-30)20-29-13-10-25(11-14-29)32-26-7-4-12-28-18-26/h1-2,4,7-9,12,17-18,22,25H,3,5-6,10-11,13-16,19-21H2