N-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide; methyl thiophene-3-carboxylate

Systemtic Name: N-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide; methyl thiophene-3-carboxylate Openeye Name: N-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide; methyl thiophene-3-carboxylate CAS Name: N-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide; 3-thiophenecarboxylic acid methyl ester IUPAC Name: N-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide; methyl thiophene-3-carboxylate Traditional Name: N-[4-(2-cyanophenyl)benzyl]valeramide; thiophene-3-carboxylic acid methyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.COC(=O)C1=CSC=C1

Isomeric SMILES

CCCCC(=O)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.COC(=O)C1=CSC=C1

InChI

InChI=1S/C19H20N2O.C6H6O2S/c1-2-3-8-19(22)21-14-15-9-11-16(12-10-15)18-7-5-4-6-17(18)13-20;1-8-6(7)5-2-3-9-4-5/h4-7,9-12H,2-3,8,14H2,1H3,(H,21,22);2-4H,1H3