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

Systemtic Name: 1-(2-acetamido-2-cyclohexyl-ethanoyl)-N-[(1-azanylisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-acetamido-2-cyclohexyl-acetyl)-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-acetamido-2-cyclohexyl-1-oxoethyl)-N-[(1-amino-6-isoquinolinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-2-cyclohexylacetyl)-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-acetamido-2-cyclohexyl-acetyl)-N-[(1-amino-6-isoquinolyl)methyl]pyrrolidine-2-carboxamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C25H33N5O3/c1-16(31)29-22(18-6-3-2-4-7-18)25(33)30-13-5-8-21(30)24(32)28-15-17-9-10-20-19(14-17)11-12-27-23(20)26/h9-12,14,18,21-22H,2-8,13,15H2,1H3,(H2,26,27)(H,28,32)(H,29,31)