4-[[4-[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]piperazino]methyl]benzonitrile Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)N3C(COC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)N3C(COC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c29-18-22-10-12-23(13-11-22)19-30-14-16-31(17-15-30)20-28(33)32-25-8-4-5-9-27(25)34-21-26(32)24-6-2-1-3-7-24/h1-13,26H,14-17,19-21H2