6,7-dimethoxy-N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-1-methyl-2-oxo-2-(4-pyridylmethylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-pyridylmethylamino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H26N4O4/c1-14(20(26)23-12-15-4-7-22-8-5-15)24-21(27)25-9-6-16-10-18(28-2)19(29-3)11-17(16)13-25/h4-5,7-8,10-11,14H,6,9,12-13H2,1-3H3,(H,23,26)(H,24,27)/t14-/m0/s1