N-[2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-oxidanylidene-isoquinolin-5-yl]-2-cycloheptyl-propanamide

Systemtic Name: N-[2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-oxidanylidene-isoquinolin-5-yl]-2-cycloheptyl-propanamide Openeye Name: N-[2-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-1-oxo-5-isoquinolyl]-2-cycloheptyl-propanamide CAS Name: N-[2-[(2R)-1-amino-1-oxopropan-2-yl]-1-oxo-5-isoquinolinyl]-2-cycloheptylpropanamide IUPAC Name: N-[2-[(2R)-1-amino-1-oxopropan-2-yl]-1-oxoisoquinolin-5-yl]-2-cycloheptylpropanamide Traditional Name: N-[2-[(1R)-2-amino-2-keto-1-methyl-ethyl]-1-keto-5-isoquinolyl]-2-cycloheptyl-propionamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCC1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)C(C)C(=O)N

Isomeric SMILES

C[C@H](C(=O)N)N1C=CC2=C(C1=O)C=CC=C2NC(=O)C(C)C3CCCCCC3

InChI

InChI=1S/C22H29N3O3/c1-14(16-8-5-3-4-6-9-16)21(27)24-19-11-7-10-18-17(19)12-13-25(22(18)28)15(2)20(23)26/h7,10-16H,3-6,8-9H2,1-2H3,(H2,23,26)(H,24,27)/t14?,15-/m1/s1