N-(3-cyanothiophen-2-yl)-3-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(4-methoxybenzoyl)-1-piperidyl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-(4-p-anisoylpiperidino)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H23N3O3S/c1-27-18-4-2-15(3-5-18)20(26)16-6-10-24(11-7-16)12-8-19(25)23-21-17(14-22)9-13-28-21/h2-5,9,13,16H,6-8,10-12H2,1H3,(H,23,25)