2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-thienylmethyl)pyridine-3-carboxamide CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-(homoveratrylamino)-N-(2-thenyl)nicotinamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC=N2)C(=O)NCC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC=N2)C(=O)NCC3=CC=CS3)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-18-8-7-15(13-19(18)27-2)9-11-23-20-17(6-3-10-22-20)21(25)24-14-16-5-4-12-28-16/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,22,23)(H,24,25)