2-[[4-chloranyl-6-methoxy-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-chloranyl-6-methoxy-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-chloro-6-methoxy-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]methyl]benzonitrile CAS Name: 2-[[4-chloro-6-methoxy-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]methyl]benzonitrile IUPAC Name: 2-[[4-chloro-6-methoxy-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-chloro-2-keto-6-methoxy-1-(4-pyridylmethyl)acenaphthen-1-yl]methyl]benzonitrile Formula: C27H19ClN2O2 MolecularWeight: 438.90496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C=C3C2=C(C=C1)C(C3=O)(CC4=CC=NC=C4)CC5=CC=CC=C5C#N)Cl

Isomeric SMILES

COC1=C2C=C(C=C3C2=C(C=C1)C(C3=O)(CC4=CC=NC=C4)CC5=CC=CC=C5C#N)Cl

InChI

InChI=1S/C27H19ClN2O2/c1-32-24-7-6-23-25-21(24)12-20(28)13-22(25)26(31)27(23,14-17-8-10-30-11-9-17)15-18-4-2-3-5-19(18)16-29/h2-13H,14-15H2,1H3