N-[(1-azanylisoquinolin-6-yl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-azanylisoquinolin-6-yl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-amino-6-isoquinolinyl)methyl]-1-[2-(methylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-aminoisoquinolin-6-yl)methyl]-1-[2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C25H29N5O2/c1-27-21(15-17-6-3-2-4-7-17)25(32)30-13-5-8-22(30)24(31)29-16-18-9-10-20-19(14-18)11-12-28-23(20)26/h2-4,6-7,9-12,14,21-22,27H,5,8,13,15-16H2,1H3,(H2,26,28)(H,29,31)