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

Systemtic Name: N3-butyl-N3-methyl-N1-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-5-quinolin-5-yl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S)-1-benzyl-2-hydroxy-ethyl]-N3-butyl-N3-methyl-5-(5-quinolyl)benzene-1,3-dicarboxamide CAS Name: N3-butyl-N1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-N3-methyl-5-(5-quinolinyl)benzene-1,3-dicarboxamide IUPAC Name: 3-N-butyl-1-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-N-methyl-5-quinolin-5-ylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-N'-butyl-N'-methyl-5-(5-quinolyl)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=C4C=CC=NC4=CC=C3

Isomeric SMILES

CCCCN(C)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)CO)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C31H33N3O3/c1-3-4-16-34(2)31(37)25-19-23(27-12-8-14-29-28(27)13-9-15-32-29)18-24(20-25)30(36)33-26(21-35)17-22-10-6-5-7-11-22/h5-15,18-20,26,35H,3-4,16-17,21H2,1-2H3,(H,33,36)/t26-/m0/s1