7-oxabicyclo[4.2.0]octa-1,3,5-triene; 2-(4-phenylpiperazin-1-yl)carbonylbenzaldehyde

Systemtic Name: 7-oxabicyclo[4.2.0]octa-1,3,5-triene; 2-(4-phenylpiperazin-1-yl)carbonylbenzaldehyde Openeye Name: 7-oxabicyclo[4.2.0]octa-1,3,5-triene; 2-(4-phenylpiperazine-1-carbonyl)benzaldehyde CAS Name: 7-oxabicyclo[4.2.0]octa-1,3,5-triene; 2-[oxo-(4-phenyl-1-piperazinyl)methyl]benzaldehyde IUPAC Name: 7-oxabicyclo[4.2.0]octa-1,3,5-triene; 2-(4-phenylpiperazine-1-carbonyl)benzaldehyde Traditional Name: 7-oxabicyclo[4.2.0]octa-1,3,5-triene; 2-(4-phenylpiperazine-1-carbonyl)benzaldehyde Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C=O.C1C2=CC=CC=C2O1

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C=O.C1C2=CC=CC=C2O1

InChI

InChI=1S/C18H18N2O2.C7H6O/c21-14-15-6-4-5-9-17(15)18(22)20-12-10-19(11-13-20)16-7-2-1-3-8-16;1-2-4-7-6(3-1)5-8-7/h1-9,14H,10-13H2;1-4H,5H2