2-[3-[[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[3-[[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[3-[[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[3-[[4-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[3-[[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[3-[[4-(2-keto-3H-1,3-benzoxazol-7-yl)piperazino]methyl]phenyl]benzonitrile Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CC=C3C#N)C4=CC=CC5=C4OC(=O)N5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CC=C3C#N)C4=CC=CC5=C4OC(=O)N5

InChI

InChI=1S/C25H22N4O2/c26-16-20-6-1-2-8-21(20)19-7-3-5-18(15-19)17-28-11-13-29(14-12-28)23-10-4-9-22-24(23)31-25(30)27-22/h1-10,15H,11-14,17H2,(H,27,30)