2-(4-cyanobutanoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide

Systemtic Name: 2-(4-cyanobutanoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Openeye Name: 2-(4-cyanobutanoyl)-N-[2-(diisopropylamino)ethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide CAS Name: 2-(4-cyano-1-oxobutyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide IUPAC Name: 2-(4-cyanobutanoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Traditional Name: 2-(4-cyanobutanoyl)-N-[2-(diisopropylamino)ethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Formula: C29H38N4O3 MolecularWeight: 490.63702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)CCCC#N)C=C(C=C2)OC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)CCCC#N)C=C(C=C2)OC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C29H38N4O3/c1-21(2)32(22(3)4)19-17-31-29(35)28-26-14-13-25(36-24-10-6-5-7-11-24)20-23(26)15-18-33(28)27(34)12-8-9-16-30/h5-7,10-11,13-14,20-22,28H,8-9,12,15,17-19H2,1-4H3,(H,31,35)