N-[1-(2-thiophen-2-ylethanoyl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-(2-thiophen-2-ylethanoyl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-[2-(2-thienyl)acetyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-(1-oxo-2-thiophen-2-ylethyl)-3-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-[2-(2-thienyl)acetyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CS2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CC=CS2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2S/c25-20(13-19-8-4-12-27-19)23-10-3-7-18(15-23)22-21(26)24-11-9-16-5-1-2-6-17(16)14-24/h1-2,4-6,8,12,18H,3,7,9-11,13-15H2,(H,22,26)