2-[4-(cyanomethyl)-3-ethoxy-phenyl]-N-[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]ethanamide

Systemtic Name: 2-[4-(cyanomethyl)-3-ethoxy-phenyl]-N-[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]ethanamide Openeye Name: 2-[4-(cyanomethyl)-3-ethoxy-phenyl]-N-[3-methyl-1-[2-(1-piperidyl)phenyl]butyl]acetamide CAS Name: 2-[4-(cyanomethyl)-3-ethoxyphenyl]-N-[3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]acetamide IUPAC Name: 2-[4-(cyanomethyl)-3-ethoxyphenyl]-N-[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide Traditional Name: 2-[4-(cyanomethyl)-3-ethoxy-phenyl]-N-[3-methyl-1-(2-piperidinophenyl)butyl]acetamide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)CC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)CC#N

InChI

InChI=1S/C28H37N3O2/c1-4-33-27-19-22(12-13-23(27)14-15-29)20-28(32)30-25(18-21(2)3)24-10-6-7-11-26(24)31-16-8-5-9-17-31/h6-7,10-13,19,21,25H,4-5,8-9,14,16-18,20H2,1-3H3,(H,30,32)