3-[4-chloranyl-6-methoxy-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]-2-methyl-benzenecarbonitrile

Systemtic Name: 3-[4-chloranyl-6-methoxy-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]-2-methyl-benzenecarbonitrile Openeye Name: 3-[4-chloro-6-methoxy-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]-2-methyl-benzonitrile CAS Name: 3-[4-chloro-6-methoxy-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]-2-methylbenzonitrile IUPAC Name: 3-[4-chloro-6-methoxy-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]-2-methylbenzonitrile Traditional Name: 3-[4-chloro-2-keto-6-methoxy-1-(4-pyridylmethyl)acenaphthen-1-yl]-2-methyl-benzonitrile Formula: C27H19ClN2O2 MolecularWeight: 438.90496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C2(C3=C4C(=CC(=CC4=C(C=C3)OC)Cl)C2=O)CC5=CC=NC=C5)C#N

Isomeric SMILES

CC1=C(C=CC=C1C2(C3=C4C(=CC(=CC4=C(C=C3)OC)Cl)C2=O)CC5=CC=NC=C5)C#N

InChI

InChI=1S/C27H19ClN2O2/c1-16-18(15-29)4-3-5-22(16)27(14-17-8-10-30-11-9-17)23-6-7-24(32-2)20-12-19(28)13-21(25(20)23)26(27)31/h3-13H,14H2,1-2H3