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

Systemtic Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-2-methyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-2-methyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C27H34N4O4/c1-17(2)25(26(32)28-11-9-19-15-29-22-8-6-5-7-21(19)22)30-27(33)31-12-10-18-13-23(34-3)24(35-4)14-20(18)16-31/h5-8,13-15,17,25,29H,9-12,16H2,1-4H3,(H,28,32)(H,30,33)/t25-/m0/s1