2-methyl-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-methyl-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-methyl-1-oxo-N-(3-pyridylmethyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-methyl-1-oxo-N-(3-pyridinylmethyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-methyl-1-oxo-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-2-methyl-N-(3-pyridylmethyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CN=CC=C3)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CN=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H19N3O2S/c1-24-19(17-9-5-11-27-17)18(15-7-2-3-8-16(15)21(24)26)20(25)23-13-14-6-4-10-22-12-14/h2-12,18-19H,13H2,1H3,(H,23,25)