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

Systemtic Name: 4-[[4-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-(2-methoxyphenyl)isoxazole-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-(2-methoxyphenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-(2-methoxyphenyl)isoxazole-3-carbonyl]piperazino]methyl]benzonitrile Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O3/c1-29-21-5-3-2-4-19(21)22-14-20(25-30-22)23(28)27-12-10-26(11-13-27)16-18-8-6-17(15-24)7-9-18/h2-9,14H,10-13,16H2,1H3