6,7-dimethoxy-N-[(2S)-3-methyl-1-(naphthalen-1-ylamino)-1-oxidanylidene-butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2S)-3-methyl-1-(naphthalen-1-ylamino)-1-oxidanylidene-butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-2-methyl-1-(1-naphthylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-3-methyl-1-(1-naphthalenylamino)-1-oxobutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-3-methyl-1-(naphthalen-1-ylamino)-1-oxobutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[(1S)-2-methyl-1-(1-naphthylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC2=CC=CC=C21)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C27H31N3O4/c1-17(2)25(26(31)28-22-11-7-9-18-8-5-6-10-21(18)22)29-27(32)30-13-12-19-14-23(33-3)24(34-4)15-20(19)16-30/h5-11,14-15,17,25H,12-13,16H2,1-4H3,(H,28,31)(H,29,32)/t25-/m0/s1