N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

Isomeric SMILES

CCN1CCCC1CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

InChI

InChI=1S/C22H27N3O2S/c1-3-25-12-6-8-15(25)14-23-21(26)19-16-9-4-5-10-17(16)22(27)24(2)20(19)18-11-7-13-28-18/h4-5,7,9-11,13,15,19-20H,3,6,8,12,14H2,1-2H3,(H,23,26)