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

Systemtic Name: N-[(1-azanylisoquinolin-6-yl)methyl]-1-[3-cyclohexyl-2-(cyclopentylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[3-cyclohexyl-2-(cyclopentylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-amino-6-isoquinolinyl)methyl]-1-[3-cyclohexyl-2-(cyclopentylamino)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-aminoisoquinolin-6-yl)methyl]-1-[3-cyclohexyl-2-(cyclopentylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amino-6-isoquinolyl)methyl]-1-[3-cyclohexyl-2-(cyclopentylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C29H41N5O2 MolecularWeight: 491.66814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N)NC5CCCC5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N)NC5CCCC5

InChI

InChI=1S/C29H41N5O2/c30-27-24-13-12-21(17-22(24)14-15-31-27)19-32-28(35)26-11-6-16-34(26)29(36)25(33-23-9-4-5-10-23)18-20-7-2-1-3-8-20/h12-15,17,20,23,25-26,33H,1-11,16,18-19H2,(H2,30,31)(H,32,35)