5-(2-cyanophenyl)-N1-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-(2-cyanophenyl)-N1-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S)-1-benzyl-2-hydroxy-ethyl]-5-(2-cyanophenyl)-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-(2-cyanophenyl)-N1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-(2-cyanophenyl)-1-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-5-(2-cyanophenyl)-N',N'-dipropyl-isophthalamide Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)CO)C3=CC=CC=C3C#N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)CO)C3=CC=CC=C3C#N

InChI

InChI=1S/C30H33N3O3/c1-3-14-33(15-4-2)30(36)26-18-24(28-13-9-8-12-23(28)20-31)17-25(19-26)29(35)32-27(21-34)16-22-10-6-5-7-11-22/h5-13,17-19,27,34H,3-4,14-16,21H2,1-2H3,(H,32,35)/t27-/m0/s1