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

Systemtic Name: 2-[4-[(3-butyl-5-oxidanylidene-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]indol-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]indol-1-yl]benzonitrile CAS Name: 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]-1-indolyl]benzonitrile IUPAC Name: 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]indol-1-yl]benzonitrile Traditional Name: 2-[4-[(3-butyl-5-keto-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]indol-1-yl]benzonitrile Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C(=O)N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)CCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NOC(C(=O)N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)CCC5=CC=CC=C5

InChI

InChI=1S/C31H30N4O2/c1-2-3-16-30-33-37-29(18-17-23-10-5-4-6-11-23)31(36)35(30)22-25-13-9-15-28-26(25)19-20-34(28)27-14-8-7-12-24(27)21-32/h4-15,19-20,29H,2-3,16-18,22H2,1H3