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

Systemtic Name: 1-[2-acetamido-2-(4-bromophenyl)ethanoyl]-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-acetamido-2-(4-bromophenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-acetamido-2-(4-bromophenyl)-1-oxoethyl]-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-acetamido-2-(4-bromophenyl)acetyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-acetamido-2-(4-bromophenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C25H26BrN5O3 MolecularWeight: 524.40964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN5O3/c1-15(32)30-22(17-5-7-19(26)8-6-17)25(34)31-12-2-3-21(31)24(33)29-14-16-4-9-20-18(13-16)10-11-28-23(20)27/h4-11,13,21-22H,2-3,12,14H2,1H3,(H2,27,28)(H,29,33)(H,30,32)