2-[2-[4-(cyclohexa-1,3-dien-1-ylcarbonylamino)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide

Systemtic Name: 2-[2-[4-(cyclohexa-1,3-dien-1-ylcarbonylamino)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Openeye Name: 2-[2-[4-(cyclohexa-1,3-diene-1-carbonylamino)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide CAS Name: 2-[2-[4-[[1-cyclohexa-1,3-dienyl(oxo)methyl]amino]phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide IUPAC Name: 2-[2-[4-(cyclohexa-1,3-diene-1-carbonylamino)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Traditional Name: 2-[2-[4-(cyclohexa-1,3-diene-1-carbonylamino)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=CCC4)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=CCC4)C(=O)N)OC

InChI

InChI=1S/C27H31N3O4/c1-33-23-16-20-13-15-30(25(26(28)31)22(20)17-24(23)34-2)14-12-18-8-10-21(11-9-18)29-27(32)19-6-4-3-5-7-19/h3-4,6,8-11,16-17,25H,5,7,12-15H2,1-2H3,(H2,28,31)(H,29,32)