3-[[4-[4-(1,2-oxazol-5-ylcarbonyl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(1,2-oxazol-5-ylcarbonyl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(isoxazole-5-carbonyl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[5-isoxazolyl(oxo)methyl]-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(isoxazole-5-carbonyl)piperazino]piperidino]methyl]benzonitrile Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=NO3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=NO3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H25N5O2/c22-15-17-2-1-3-18(14-17)16-24-8-5-19(6-9-24)25-10-12-26(13-11-25)21(27)20-4-7-23-28-20/h1-4,7,14,19H,5-6,8-13,16H2