3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[(2-phenylcyclopentyl)methyl]propanamide

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[(2-phenylcyclopentyl)methyl]propanamide Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-[(2-phenylcyclopentyl)methyl]propanamide CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-[(2-phenylcyclopentyl)methyl]propanamide IUPAC Name: 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-[(2-phenylcyclopentyl)methyl]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-[(2-phenylcyclopentyl)methyl]propionamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)C2=CC=CC=C2)CNC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CC(C(C1)C2=CC=CC=C2)CNC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H29N3O3/c30-24(28-17-21-10-6-12-22(21)19-7-2-1-3-8-19)13-15-27-25(31)18-29-16-14-20-9-4-5-11-23(20)26(29)32/h1-5,7-9,11,14,16,21-22H,6,10,12-13,15,17-18H2,(H,27,31)(H,28,30)