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

Systemtic Name: (3S,4S)-3-[4-(hydroxymethyl)phenyl]-4-methyl-1-oxidanylidene-2-(phenylmethyl)-N-propan-2-yl-3H-isoquinoline-4-carboxamide Openeye Name: (3S,4S)-2-benzyl-3-[4-(hydroxymethyl)phenyl]-N-isopropyl-4-methyl-1-oxo-3H-isoquinoline-4-carboxamide CAS Name: (3S,4S)-3-[4-(hydroxymethyl)phenyl]-4-methyl-1-oxo-2-(phenylmethyl)-N-propan-2-yl-3H-isoquinoline-4-carboxamide IUPAC Name: (3S,4S)-2-benzyl-3-[4-(hydroxymethyl)phenyl]-4-methyl-1-oxo-N-propan-2-yl-3H-isoquinoline-4-carboxamide Traditional Name: (3S,4S)-2-benzyl-N-isopropyl-1-keto-4-methyl-3-(4-methylolphenyl)-3H-isoquinoline-4-carboxamide Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1(C(N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=C(C=C4)CO)C

Isomeric SMILES

CC(C)NC(=O)[C@@]1([C@@H](N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=C(C=C4)CO)C

InChI

InChI=1S/C28H30N2O3/c1-19(2)29-27(33)28(3)24-12-8-7-11-23(24)26(32)30(17-20-9-5-4-6-10-20)25(28)22-15-13-21(18-31)14-16-22/h4-16,19,25,31H,17-18H2,1-3H3,(H,29,33)/t25-,28-/m0/s1