5-[2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]pentanenitrile hydrochloride

Systemtic Name: 5-[2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]pentanenitrile hydrochloride Openeye Name: 5-[2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]pentanenitrile hydrochloride CAS Name: 5-[2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]pentanenitrile hydrochloride IUPAC Name: 5-[2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]pentanenitrile hydrochloride Traditional Name: 5-[2-keto-1-(4-pyridylmethyl)acenaphthen-1-yl]valeronitrile hydrochloride Formula: C23H21ClN2O MolecularWeight: 376.87864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O.ClH/c24-13-3-1-2-12-23(16-17-10-14-25-15-11-17)20-9-5-7-18-6-4-8-19(21(18)20)22(23)26;/h4-11,14-15H,1-3,12,16H2;1H