(2S)-4-azanyl-N-(1-oxidanylidene-2H-isoquinolin-6-yl)-2-phenyl-butanamide

Systemtic Name: (2S)-4-azanyl-N-(1-oxidanylidene-2H-isoquinolin-6-yl)-2-phenyl-butanamide Openeye Name: (2S)-4-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenyl-butanamide CAS Name: (2S)-4-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylbutanamide IUPAC Name: (2S)-4-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylbutanamide Traditional Name: (2S)-4-amino-N-(1-keto-2H-isoquinolin-6-yl)-2-phenyl-butyramide Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CCN)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3

InChI

InChI=1S/C19H19N3O2/c20-10-8-17(13-4-2-1-3-5-13)19(24)22-15-6-7-16-14(12-15)9-11-21-18(16)23/h1-7,9,11-12,17H,8,10,20H2,(H,21,23)(H,22,24)/t17-/m0/s1