(3R,4R)-N-cyclopropyl-3-[4-(hydroxymethyl)phenyl]-1-oxidanylidene-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: (3R,4R)-N-cyclopropyl-3-[4-(hydroxymethyl)phenyl]-1-oxidanylidene-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: (3R,4R)-N-cyclopropyl-3-[4-(hydroxymethyl)phenyl]-2-isopropyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: (3R,4R)-N-cyclopropyl-3-[4-(hydroxymethyl)phenyl]-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: (3R,4R)-N-cyclopropyl-3-[4-(hydroxymethyl)phenyl]-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: (3R,4R)-N-cyclopropyl-2-isopropyl-1-keto-3-(4-methylolphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C(C2=CC=CC=C2C1=O)C(=O)NC3CC3)C4=CC=C(C=C4)CO

Isomeric SMILES

CC(C)N1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)NC3CC3)C4=CC=C(C=C4)CO

InChI

InChI=1S/C23H26N2O3/c1-14(2)25-21(16-9-7-15(13-26)8-10-16)20(22(27)24-17-11-12-17)18-5-3-4-6-19(18)23(25)28/h3-10,14,17,20-21,26H,11-13H2,1-2H3,(H,24,27)/t20-,21+/m1/s1