(2R)-N-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]-2-phenyl-butanamide

Systemtic Name: (2R)-N-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]-2-phenyl-butanamide Openeye Name: (2R)-N-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]-2-phenyl-butanamide CAS Name: (2R)-N-[[5-(4-methoxy-3-methylphenyl)-8-isoquinolinyl]methyl]-2-phenylbutanamide IUPAC Name: (2R)-N-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]-2-phenylbutanamide Traditional Name: (2R)-N-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]-2-phenyl-butyramide Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=C(C=C4)OC)C

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=C(C=C4)OC)C

InChI

InChI=1S/C28H28N2O2/c1-4-23(20-8-6-5-7-9-20)28(31)30-17-22-10-12-24(25-14-15-29-18-26(22)25)21-11-13-27(32-3)19(2)16-21/h5-16,18,23H,4,17H2,1-3H3,(H,30,31)/t23-/m1/s1