1-[(2-cyanophenyl)methyl]-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylene-3-carbonitrile

Systemtic Name: 1-[(2-cyanophenyl)methyl]-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylene-3-carbonitrile Openeye Name: 1-[(2-cyanophenyl)methyl]-2-oxo-1-(4-pyridylmethyl)acenaphthylene-3-carbonitrile CAS Name: 1-[(2-cyanophenyl)methyl]-2-oxo-1-(pyridin-4-ylmethyl)-3-acenaphthylenecarbonitrile IUPAC Name: 1-[(2-cyanophenyl)methyl]-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylene-3-carbonitrile Traditional Name: 1-(2-cyanobenzyl)-2-keto-1-(4-pyridylmethyl)acenaphthene-3-carbonitrile Formula: C27H17N3O MolecularWeight: 399.44338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2(C3=CC=CC4=C3C(=C(C=C4)C#N)C2=O)CC5=CC=NC=C5)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CC2(C3=CC=CC4=C3C(=C(C=C4)C#N)C2=O)CC5=CC=NC=C5)C#N

InChI

InChI=1S/C27H17N3O/c28-16-21-5-2-1-4-20(21)15-27(14-18-10-12-30-13-11-18)23-7-3-6-19-8-9-22(17-29)25(24(19)23)26(27)31/h1-13H,14-15H2