4-[[4-[2-(1,2-benzoxazol-3-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1,2-benzoxazol-3-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-indoxazen-3-ylacetyl)piperazino]methyl]benzonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2/c22-14-16-5-7-17(8-6-16)15-24-9-11-25(12-10-24)21(26)13-19-18-3-1-2-4-20(18)27-23-19/h1-8H,9-13,15H2