4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[[(1S)-1-cyclohex-3-enyl]methyl]-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4CCC=CC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)C[C@H]4CCC=CC4

InChI

InChI=1S/C25H31NO4/c1-27-22-11-7-10-21(25(22)29-3)19-14-20-17-26(16-18-8-5-4-6-9-18)12-13-30-24(20)23(15-19)28-2/h4-5,7,10-11,14-15,18H,6,8-9,12-13,16-17H2,1-3H3/t18-/m1/s1