2-[5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]benzaldehyde

Systemtic Name: 2-[5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]benzaldehyde Openeye Name: 2-[5-[(4-benzhydrylpiperazin-1-yl)methyl]isoxazol-3-yl]benzaldehyde CAS Name: 2-[5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-3-isoxazolyl]benzaldehyde IUPAC Name: 2-[5-[(4-benzhydrylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]benzaldehyde Traditional Name: 2-[5-[(4-benzhydrylpiperazino)methyl]isoxazol-3-yl]benzaldehyde Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=NO2)C3=CC=CC=C3C=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=NO2)C3=CC=CC=C3C=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c32-21-24-13-7-8-14-26(24)27-19-25(33-29-27)20-30-15-17-31(18-16-30)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,19,21,28H,15-18,20H2