N3-butyl-5-isoquinolin-5-yl-N3-methyl-N1-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: N3-butyl-5-isoquinolin-5-yl-N3-methyl-N1-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]benzene-1,3-dicarboxamide Openeye Name: N1-[(1S)-1-benzyl-2-hydroxy-ethyl]-N3-butyl-5-(5-isoquinolyl)-N3-methyl-benzene-1,3-dicarboxamide CAS Name: N3-butyl-N1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-(5-isoquinolinyl)-N3-methylbenzene-1,3-dicarboxamide IUPAC Name: 3-N-butyl-1-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-isoquinolin-5-yl-3-N-methylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-N'-butyl-5-(5-isoquinolyl)-N'-methyl-isophthalamide Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)CO)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCCCN(C)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)CO)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C31H33N3O3/c1-3-4-15-34(2)31(37)26-18-24(28-12-8-11-23-20-32-14-13-29(23)28)17-25(19-26)30(36)33-27(21-35)16-22-9-6-5-7-10-22/h5-14,17-20,27,35H,3-4,15-16,21H2,1-2H3,(H,33,36)/t27-/m0/s1