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

Systemtic Name: 1-(2-acetamido-2-naphthalen-2-yl-ethanoyl)-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-acetamido-2-(2-naphthyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-acetamido-2-(2-naphthalenyl)-1-oxoethyl]-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-2-naphthalen-2-ylacetyl)-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-acetamido-2-(2-naphthyl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC2=CC=CC=C2C=C1)C(=O)N3CCCC3C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

CC(=O)NC(C1=CC2=CC=CC=C2C=C1)C(=O)N3CCCC3C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

InChI

InChI=1S/C29H29N5O3/c1-18(35)33-26(23-10-9-20-5-2-3-6-21(20)16-23)29(37)34-14-4-7-25(34)28(36)32-17-19-8-11-24-22(15-19)12-13-31-27(24)30/h2-3,5-6,8-13,15-16,25-26H,4,7,14,17H2,1H3,(H2,30,31)(H,32,36)(H,33,35)