4-(1,3-benzodioxol-5-yl)-N-[1-(3-cyanophenyl)-2-(hydroxymethyl)-5-phenyl-pentan-3-yl]benzamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-[1-(3-cyanophenyl)-2-(hydroxymethyl)-5-phenyl-pentan-3-yl]benzamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-[2-[(3-cyanophenyl)methyl]-3-hydroxy-1-phenethyl-propyl]benzamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-[1-(3-cyanophenyl)-2-(hydroxymethyl)-5-phenylpentan-3-yl]benzamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-[1-(3-cyanophenyl)-2-(hydroxymethyl)-5-phenylpentan-3-yl]benzamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-[2-(3-cyanobenzyl)-3-hydroxy-1-phenethyl-propyl]benzamide Formula: C33H30N2O4 MolecularWeight: 518.6023

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C(=O)NC(CCC4=CC=CC=C4)C(CC5=CC=CC(=C5)C#N)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C(=O)NC(CCC4=CC=CC=C4)C(CC5=CC=CC(=C5)C#N)CO

InChI

InChI=1S/C33H30N2O4/c34-20-25-8-4-7-24(17-25)18-29(21-36)30(15-9-23-5-2-1-3-6-23)35-33(37)27-12-10-26(11-13-27)28-14-16-31-32(19-28)39-22-38-31/h1-8,10-14,16-17,19,29-30,36H,9,15,18,21-22H2,(H,35,37)