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

Systemtic Name: N-[(2S)-1-(cyclooctylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-(cyclooctylcarbamoyl)-2-methyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(cyclooctylamino)-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(cyclooctylamino)-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-(cyclooctylcarbamoyl)-2-methyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCCCCC1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CCCCCCC1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C25H39N3O4/c1-17(2)23(24(29)26-20-10-8-6-5-7-9-11-20)27-25(30)28-13-12-18-14-21(31-3)22(32-4)15-19(18)16-28/h14-15,17,20,23H,5-13,16H2,1-4H3,(H,26,29)(H,27,30)/t23-/m0/s1