(3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-4-methyl-1-oxidanylidene-2-propan-2-yl-3H-isoquinoline-4-carboxamide

Systemtic Name: (3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-4-methyl-1-oxidanylidene-2-propan-2-yl-3H-isoquinoline-4-carboxamide Openeye Name: (3S,4S)-3-[4-(hydroxymethyl)phenyl]-2-isopropyl-N-(3-methoxypropyl)-4-methyl-1-oxo-3H-isoquinoline-4-carboxamide CAS Name: (3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-4-methyl-1-oxo-2-propan-2-yl-3H-isoquinoline-4-carboxamide IUPAC Name: (3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-4-methyl-1-oxo-2-propan-2-yl-3H-isoquinoline-4-carboxamide Traditional Name: (3S,4S)-2-isopropyl-1-keto-N-(3-methoxypropyl)-4-methyl-3-(4-methylolphenyl)-3H-isoquinoline-4-carboxamide Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C(C2=CC=CC=C2C1=O)(C)C(=O)NCCCOC)C3=CC=C(C=C3)CO

Isomeric SMILES

CC(C)N1[C@H]([C@@](C2=CC=CC=C2C1=O)(C)C(=O)NCCCOC)C3=CC=C(C=C3)CO

InChI

InChI=1S/C25H32N2O4/c1-17(2)27-22(19-12-10-18(16-28)11-13-19)25(3,24(30)26-14-7-15-31-4)21-9-6-5-8-20(21)23(27)29/h5-6,8-13,17,22,28H,7,14-16H2,1-4H3,(H,26,30)/t22-,25-/m0/s1