2-[4-[(6-chloranyl-4-phenyl-3-propanoyl-1,2-dihydronaphthalen-2-yl)carbonyl]phenyl]-2-oxidanyl-ethanenitrile

Systemtic Name: 2-[4-[(6-chloranyl-4-phenyl-3-propanoyl-1,2-dihydronaphthalen-2-yl)carbonyl]phenyl]-2-oxidanyl-ethanenitrile Openeye Name: 2-[4-(6-chloro-4-phenyl-3-propanoyl-1,2-dihydronaphthalene-2-carbonyl)phenyl]-2-hydroxy-acetonitrile CAS Name: 2-[4-[[6-chloro-3-(1-oxopropyl)-4-phenyl-1,2-dihydronaphthalen-2-yl]-oxomethyl]phenyl]-2-hydroxyacetonitrile IUPAC Name: 2-[4-(6-chloro-4-phenyl-3-propanoyl-1,2-dihydronaphthalene-2-carbonyl)phenyl]-2-hydroxyacetonitrile Traditional Name: 2-[4-(6-chloro-4-phenyl-3-propionyl-1,2-dihydronaphthalene-2-carbonyl)phenyl]-2-hydroxy-acetonitrile Formula: C28H22ClNO3 MolecularWeight: 455.93218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CC1C(=O)C3=CC=C(C=C3)C(C#N)O)C=CC(=C2)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(CC1C(=O)C3=CC=C(C=C3)C(C#N)O)C=CC(=C2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C28H22ClNO3/c1-2-24(31)27-23(28(33)19-10-8-17(9-11-19)25(32)16-30)14-20-12-13-21(29)15-22(20)26(27)18-6-4-3-5-7-18/h3-13,15,23,25,32H,2,14H2,1H3