1-(2-acetamido-2-thiophen-3-yl-ethanoyl)-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-acetamido-2-thiophen-3-yl-ethanoyl)-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-acetamido-2-(3-thienyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-acetamido-1-oxo-2-(3-thiophenyl)ethyl]-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-2-thiophen-3-ylacetyl)-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-acetamido-2-(3-thienyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CSC=C1)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(=O)NC(C1=CSC=C1)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C23H25N5O3S/c1-14(29)27-20(17-7-10-32-13-17)23(31)28-9-2-3-19(28)22(30)26-12-15-4-5-18-16(11-15)6-8-25-21(18)24/h4-8,10-11,13,19-20H,2-3,9,12H2,1H3,(H2,24,25)(H,26,30)(H,27,29)