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

Systemtic Name: 3-[3-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[4-(2-keto-3H-1,3-benzoxazol-7-yl)piperazino]propoxy]benzonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC(=C2)C#N)C3=CC=CC4=C3OC(=O)N4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC(=C2)C#N)C3=CC=CC4=C3OC(=O)N4

InChI

InChI=1S/C21H22N4O3/c22-15-16-4-1-5-17(14-16)27-13-3-8-24-9-11-25(12-10-24)19-7-2-6-18-20(19)28-21(26)23-18/h1-2,4-7,14H,3,8-13H2,(H,23,26)