2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[(1R)-1-phenylethyl]benzamide

Systemtic Name: 2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide CAS Name: 2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H23N3O3/c1-18(19-9-3-2-4-10-19)27-25(31)22-13-7-8-14-23(22)28-24(30)17-29-16-15-20-11-5-6-12-21(20)26(29)32/h2-16,18H,17H2,1H3,(H,27,31)(H,28,30)/t18-/m1/s1