4-[(2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanoyl]pyridine-2-carbonitrile

Systemtic Name: 4-[(2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanoyl]pyridine-2-carbonitrile Openeye Name: 4-[(2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)acetyl]pyridine-2-carbonitrile CAS Name: 4-[(2E)-1-oxo-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethyl]-2-pyridinecarbonitrile IUPAC Name: 4-[(2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)acetyl]pyridine-2-carbonitrile Traditional Name: 4-[(2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)acetyl]picolinonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=CC(=O)C3=CC(=NC=C3)C#N)NC1(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2/C(=C\C(=O)C3=CC(=NC=C3)C#N)/NC1(C)C)C

InChI

InChI=1S/C21H21N3O/c1-20(2)17-8-6-5-7-16(17)18(24-21(20,3)4)12-19(25)14-9-10-23-15(11-14)13-22/h5-12,24H,1-4H3/b18-12+