5-[1-(2-azanylethanoyl)pyrrolidin-2-yl]-N-isoquinolin-5-yl-thiophene-2-carboxamide

Systemtic Name: 5-[1-(2-azanylethanoyl)pyrrolidin-2-yl]-N-isoquinolin-5-yl-thiophene-2-carboxamide Openeye Name: 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(5-isoquinolyl)thiophene-2-carboxamide CAS Name: 5-[1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-N-(5-isoquinolinyl)-2-thiophenecarboxamide IUPAC Name: 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-isoquinolin-5-ylthiophene-2-carboxamide Traditional Name: 5-(1-glycylpyrrolidin-2-yl)-N-(5-isoquinolyl)thiophene-2-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN)C2=CC=C(S2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CN)C2=CC=C(S2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H20N4O2S/c21-11-19(25)24-10-2-5-16(24)17-6-7-18(27-17)20(26)23-15-4-1-3-13-12-22-9-8-14(13)15/h1,3-4,6-9,12,16H,2,5,10-11,21H2,(H,23,26)