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

Systemtic Name: 1-[2-acetamido-2-(3-methoxyphenyl)ethanoyl]-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-acetamido-2-(3-methoxyphenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-acetamido-2-(3-methoxyphenyl)-1-oxoethyl]-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-acetamido-2-(3-methoxyphenyl)acetyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-acetamido-2-(3-methoxyphenyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4/c1-16(32)30-23(19-5-3-6-20(14-19)35-2)26(34)31-12-4-7-22(31)25(33)29-15-17-8-9-21-18(13-17)10-11-28-24(21)27/h3,5-6,8-11,13-14,22-23H,4,7,12,15H2,1-2H3,(H2,27,28)(H,29,33)(H,30,32)