N-[1-(3-cyanophenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide

Systemtic Name: N-[1-(3-cyanophenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide Openeye Name: N-[2-[(3-cyanophenyl)methyl]-1-ethyl-3-hydroxy-propyl]-4-(3-ethylphenyl)benzamide CAS Name: N-[1-(3-cyanophenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide IUPAC Name: N-[1-(3-cyanophenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide Traditional Name: N-[2-(3-cyanobenzyl)-1-ethyl-3-hydroxy-propyl]-4-(3-ethylphenyl)benzamide Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C#N)CO

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C#N)CO

InChI

InChI=1S/C28H30N2O2/c1-3-20-7-6-10-25(16-20)23-11-13-24(14-12-23)28(32)30-27(4-2)26(19-31)17-21-8-5-9-22(15-21)18-29/h5-16,26-27,31H,3-4,17,19H2,1-2H3,(H,30,32)