2-cyanopropan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 2-cyanopropan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: (1-cyano-1-methyl-ethyl) 1-[2-(diisopropylamino)ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(diisopropylamino)ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (1-cyano-1-methyl-ethyl) ester Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O4/c1-20(2)32(21(3)4)17-15-31-27(34)26-25-13-12-24(36-23-10-8-7-9-11-23)18-22(25)14-16-33(26)28(35)37-29(5,6)19-30/h7-13,18,20-21,26H,14-17H2,1-6H3,(H,31,34)