2-[4-[(3-butyl-5-oxidanylidene-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-butyl-5-oxidanylidene-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3-butyl-5-keto-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzonitrile Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NOC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O2/c1-2-3-13-28-31-34-27(19-16-22-9-5-4-6-10-22)29(33)32(28)21-23-14-17-24(18-15-23)26-12-8-7-11-25(26)20-30/h4-12,14-15,17-18,27H,2-3,13,16,19,21H2,1H3