(2R)-2-[5-(2-cycloheptylethanoylamino)-1-oxidanylidene-isoquinolin-2-yl]-3-methyl-butanamide

Systemtic Name: (2R)-2-[5-(2-cycloheptylethanoylamino)-1-oxidanylidene-isoquinolin-2-yl]-3-methyl-butanamide Openeye Name: (2R)-2-[5-[(2-cycloheptylacetyl)amino]-1-oxo-2-isoquinolyl]-3-methyl-butanamide CAS Name: (2R)-2-[5-[(2-cycloheptyl-1-oxoethyl)amino]-1-oxo-2-isoquinolinyl]-3-methylbutanamide IUPAC Name: (2R)-2-[5-[(2-cycloheptylacetyl)amino]-1-oxoisoquinolin-2-yl]-3-methylbutanamide Traditional Name: (2R)-2-[5-[(2-cycloheptylacetyl)amino]-1-keto-2-isoquinolyl]-3-methyl-butyramide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3CCCCCC3

Isomeric SMILES

CC(C)[C@H](C(=O)N)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3CCCCCC3

InChI

InChI=1S/C23H31N3O3/c1-15(2)21(22(24)28)26-13-12-17-18(23(26)29)10-7-11-19(17)25-20(27)14-16-8-5-3-4-6-9-16/h7,10-13,15-16,21H,3-6,8-9,14H2,1-2H3,(H2,24,28)(H,25,27)/t21-/m1/s1