1-[(2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl)carbonyl]piperidine-4-carboxamide Openeye Name: 1-[2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[(2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carbonyl)piperidine-4-carboxamide Traditional Name: 1-[1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carbonyl]isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)C(=O)N)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)C(=O)N)C4=CC=CS4

InChI

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