(2Z)-2-[2-azanyl-1-(4-phenylisoquinolin-6-yl)ethylidene]-4-methyl-N-oxidanylidene-pentanamide

Systemtic Name: (2Z)-2-[2-azanyl-1-(4-phenylisoquinolin-6-yl)ethylidene]-4-methyl-N-oxidanylidene-pentanamide Openeye Name: (2Z)-2-[2-amino-1-(4-phenyl-6-isoquinolyl)ethylidene]-4-methyl-N-oxo-pentanamide CAS Name: (2Z)-2-[2-amino-1-(4-phenyl-6-isoquinolinyl)ethylidene]-4-methyl-N-oxopentanamide IUPAC Name: (2Z)-2-[2-amino-1-(4-phenylisoquinolin-6-yl)ethylidene]-4-methyl-N-oxopentanamide Traditional Name: (Z)-4-amino-2-isobutyl-N-keto-3-(4-phenyl-6-isoquinolyl)but-2-enamide Formula: C23H23N3O2 MolecularWeight: 373.44762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=C(CN)C1=CC2=C(C=NC=C2C=C1)C3=CC=CC=C3)C(=O)N=O

Isomeric SMILES

CC(C)C/C(=C(/CN)\C1=CC2=C(C=NC=C2C=C1)C3=CC=CC=C3)/C(=O)N=O

InChI

InChI=1S/C23H23N3O2/c1-15(2)10-20(23(27)26-28)21(12-24)17-8-9-18-13-25-14-22(19(18)11-17)16-6-4-3-5-7-16/h3-9,11,13-15H,10,12,24H2,1-2H3/b21-20+