5-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole Openeye Name: 5-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(4-pyridyl)-4,5-dihydroisoxazole CAS Name: 5-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-pyridin-4-yl-4,5-dihydroisoxazole IUPAC Name: 5-[4-(4-benzylpiperazin-1-yl)phenyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole Traditional Name: 5-[4-(4-benzylpiperazino)phenyl]-3-(4-pyridyl)-2-isoxazoline Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)C4CC(=NO4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)C4CC(=NO4)C5=CC=NC=C5

InChI

InChI=1S/C25H26N4O/c1-2-4-20(5-3-1)19-28-14-16-29(17-15-28)23-8-6-22(7-9-23)25-18-24(27-30-25)21-10-12-26-13-11-21/h1-13,25H,14-19H2