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

Systemtic Name: 1-[2-acetamido-2-(2-chlorophenyl)ethanoyl]-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-acetamido-2-(2-chlorophenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-acetamido-2-(2-chlorophenyl)-1-oxoethyl]-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-acetamido-2-(2-chlorophenyl)acetyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-acetamido-2-(2-chlorophenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=CC=C1Cl)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(=O)NC(C1=CC=CC=C1Cl)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C25H26ClN5O3/c1-15(32)30-22(19-5-2-3-6-20(19)26)25(34)31-12-4-7-21(31)24(33)29-14-16-8-9-18-17(13-16)10-11-28-23(18)27/h2-3,5-6,8-11,13,21-22H,4,7,12,14H2,1H3,(H2,27,28)(H,29,33)(H,30,32)