1-[2-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethyl]-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC2=C(C=C1)OCCO2)C(=O)N3CCCC3C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

CC(=O)NC(C1=CC2=C(C=C1)OCCO2)C(=O)N3CCCC3C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

InChI

InChI=1S/C27H29N5O5/c1-16(33)31-24(19-5-7-22-23(14-19)37-12-11-36-22)27(35)32-10-2-3-21(32)26(34)30-15-17-4-6-20-18(13-17)8-9-29-25(20)28/h4-9,13-14,21,24H,2-3,10-12,15H2,1H3,(H2,28,29)(H,30,34)(H,31,33)