2-methyl-3-[5-methyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]benzenecarbonitrile

Systemtic Name: 2-methyl-3-[5-methyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]benzenecarbonitrile Openeye Name: 2-methyl-3-[5-methyl-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]benzonitrile CAS Name: 2-methyl-3-[5-methyl-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]benzonitrile IUPAC Name: 2-methyl-3-[5-methyl-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]benzonitrile Traditional Name: 3-[2-keto-5-methyl-1-(4-pyridylmethyl)acenaphthen-1-yl]-2-methyl-benzonitrile Formula: C27H20N2O MolecularWeight: 388.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=C3C2=C(C=C1)C(=O)C3(CC4=CC=NC=C4)C5=CC=CC(=C5C)C#N

Isomeric SMILES

CC1=C2C=CC=C3C2=C(C=C1)C(=O)C3(CC4=CC=NC=C4)C5=CC=CC(=C5C)C#N

InChI

InChI=1S/C27H20N2O/c1-17-9-10-22-25-21(17)6-4-8-24(25)27(26(22)30,15-19-11-13-29-14-12-19)23-7-3-5-20(16-28)18(23)2/h3-14H,15H2,1-2H3