N-[(1-azanyl-3-methyl-isoquinolin-6-yl)methyl]-1-[3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-azanyl-3-methyl-isoquinolin-6-yl)methyl]-1-[3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-amino-3-methyl-6-isoquinolyl)methyl]-1-[3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-amino-3-methyl-6-isoquinolinyl)methyl]-1-[3-cyclohexyl-2-(cyclohexylamino)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-amino-3-methylisoquinolin-6-yl)methyl]-1-[3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amino-3-methyl-6-isoquinolyl)methyl]-1-[3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C31H45N5O2 MolecularWeight: 519.7213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC(=CC2=C1)CNC(=O)C3CCCN3C(=O)C(CC4CCCCC4)NC5CCCCC5)N

Isomeric SMILES

CC1=NC(=C2C=CC(=CC2=C1)CNC(=O)C3CCCN3C(=O)C(CC4CCCCC4)NC5CCCCC5)N

InChI

InChI=1S/C31H45N5O2/c1-21-17-24-18-23(14-15-26(24)29(32)34-21)20-33-30(37)28-13-8-16-36(28)31(38)27(19-22-9-4-2-5-10-22)35-25-11-6-3-7-12-25/h14-15,17-18,22,25,27-28,35H,2-13,16,19-20H2,1H3,(H2,32,34)(H,33,37)