4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazine-1-carbaldehyde Openeye Name: 4-[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde Traditional Name: 4-[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]piperazine-1-carbaldehyde Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C=O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C=O

InChI

InChI=1S/C16H16ClN3O3/c1-11-14(16(22)20-8-6-19(10-21)7-9-20)15(18-23-11)12-4-2-3-5-13(12)17/h2-5,10H,6-9H2,1H3