3-[[(4R)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propanenitrile

Systemtic Name: 3-[[(4R)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propanenitrile Openeye Name: 3-[[(4R)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propanenitrile CAS Name: 3-[[(4R)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propanenitrile IUPAC Name: 3-[[(4R)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propanenitrile Traditional Name: 3-[[(4R)-1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl]methyleneamino]propionitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCCC#N

InChI

InChI=1S/C21H19N3O3/c1-2-27-16-10-8-15(9-11-16)24-20(25)18-7-4-3-6-17(18)19(21(24)26)14-23-13-5-12-22/h3-4,6-11,14,19H,2,5,13H2,1H3/t19-/m0/s1