9-chloranyl-7,8-dimethoxy-5-(4-methoxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 9-chloranyl-7,8-dimethoxy-5-(4-methoxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-allyl-9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-allyl-9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C22H26ClNO3 MolecularWeight: 387.89974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CCC3=C(C(=C(C=C23)OC)OC)Cl)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)C2CN(CCC3=C(C(=C(C=C23)OC)OC)Cl)CC=C

InChI

InChI=1S/C22H26ClNO3/c1-5-11-24-12-10-17-18(13-20(26-3)22(27-4)21(17)23)19(14-24)15-6-8-16(25-2)9-7-15/h5-9,13,19H,1,10-12,14H2,2-4H3