4-[2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanenitrile

Systemtic Name: 4-[2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanenitrile Openeye Name: 4-[2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanenitrile CAS Name: 4-[2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanenitrile IUPAC Name: 4-[2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanenitrile Traditional Name: 4-[2-keto-1-(4-pyridylmethyl)acenaphthen-1-yl]butyronitrile Formula: C22H18N2O MolecularWeight: 326.39112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)C(C3=CC=C2)(CCCC#N)CC4=CC=NC=C4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)C(C3=CC=C2)(CCCC#N)CC4=CC=NC=C4

InChI

InChI=1S/C22H18N2O/c23-12-2-1-11-22(15-16-9-13-24-14-10-16)19-8-4-6-17-5-3-7-18(20(17)19)21(22)25/h3-10,13-14H,1-2,11,15H2