(3S)-3-(dimethylamino)-N-(1-oxidanylidene-2H-isoquinolin-6-yl)-3-phenyl-propanamide

Systemtic Name: (3S)-3-(dimethylamino)-N-(1-oxidanylidene-2H-isoquinolin-6-yl)-3-phenyl-propanamide Openeye Name: (3S)-3-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-3-phenyl-propanamide CAS Name: (3S)-3-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-3-phenylpropanamide IUPAC Name: (3S)-3-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-3-phenylpropanamide Traditional Name: (3S)-3-(dimethylamino)-N-(1-keto-2H-isoquinolin-6-yl)-3-phenyl-propionamide Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC(=O)NC1=CC2=C(C=C1)C(=O)NC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)[C@@H](CC(=O)NC1=CC2=C(C=C1)C(=O)NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c1-23(2)18(14-6-4-3-5-7-14)13-19(24)22-16-8-9-17-15(12-16)10-11-21-20(17)25/h3-12,18H,13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1