N-[(2S)-1-[(3,5-dimethoxyphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[(3,5-dimethoxyphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-[(3,5-dimethoxyphenyl)carbamoyl]-2-methyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(3,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(3,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-[(3,5-dimethoxyphenyl)carbamoyl]-2-methyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=CC(=C1)OC)OC)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC(=CC(=C1)OC)OC)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C25H33N3O6/c1-15(2)23(24(29)26-18-11-19(31-3)13-20(12-18)32-4)27-25(30)28-8-7-16-9-21(33-5)22(34-6)10-17(16)14-28/h9-13,15,23H,7-8,14H2,1-6H3,(H,26,29)(H,27,30)/t23-/m0/s1