N-[4-[1-azanyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]phenyl]cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-[4-[1-azanyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]phenyl]cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[4-[2-amino-1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-oxo-ethyl]phenyl]cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[4-[1-amino-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]phenyl]-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[4-[1-amino-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]phenyl]cyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[4-[2-amino-1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-keto-ethyl]phenyl]cyclohexa-1,3-diene-1-carboxamide Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(C3=CC=C(C=C3)NC(=O)C4=CC=CCC4)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(C3=CC=C(C=C3)NC(=O)C4=CC=CCC4)C(=O)N)OC

InChI

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