4-[(2Z)-2-[3,3-dimethyl-7-(methylamino)-2,4-dihydroisoquinolin-1-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-[3,3-dimethyl-7-(methylamino)-2,4-dihydroisoquinolin-1-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-[3,3-dimethyl-7-(methylamino)-2,4-dihydroisoquinolin-1-ylidene]acetyl]benzonitrile CAS Name: 4-[(2Z)-2-[3,3-dimethyl-7-(methylamino)-2,4-dihydroisoquinolin-1-ylidene]-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-[3,3-dimethyl-7-(methylamino)-2,4-dihydroisoquinolin-1-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-[3,3-dimethyl-7-(methylamino)-2,4-dihydroisoquinolin-1-ylidene]acetyl]benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)NC)C(=CC(=O)C3=CC=C(C=C3)C#N)N1)C

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)NC)/C(=C/C(=O)C3=CC=C(C=C3)C#N)/N1)C

InChI

InChI=1S/C21H21N3O/c1-21(2)12-16-8-9-17(23-3)10-18(16)19(24-21)11-20(25)15-6-4-14(13-22)5-7-15/h4-11,23-24H,12H2,1-3H3/b19-11-