1-[2-acetamido-2-(4-cyanophenyl)ethanoyl]-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-acetamido-2-(4-cyanophenyl)ethanoyl]-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-acetamido-2-(4-cyanophenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-acetamido-2-(4-cyanophenyl)-1-oxoethyl]-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-acetamido-2-(4-cyanophenyl)acetyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-acetamido-2-(4-cyanophenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O3/c1-16(33)31-23(19-7-4-17(14-27)5-8-19)26(35)32-12-2-3-22(32)25(34)30-15-18-6-9-21-20(13-18)10-11-29-24(21)28/h4-11,13,22-23H,2-3,12,15H2,1H3,(H2,28,29)(H,30,34)(H,31,33)