5-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-3-(3-phenoxyphenyl)-1,2-oxazole

Systemtic Name: 5-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-3-(3-phenoxyphenyl)-1,2-oxazole Openeye Name: 5-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(3-phenoxyphenyl)isoxazole CAS Name: 5-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-phenoxyphenyl)isoxazole IUPAC Name: 5-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(3-phenoxyphenyl)-1,2-oxazole Traditional Name: 5-[4-(4-benzhydrylpiperazino)butyl]-3-(3-phenoxyphenyl)isoxazole Formula: C36H37N3O2 MolecularWeight: 543.69788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC(=CC=C3)OC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC(=CC=C3)OC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H37N3O2/c1-4-13-29(14-5-1)36(30-15-6-2-7-16-30)39-25-23-38(24-26-39)22-11-10-20-34-28-35(37-41-34)31-17-12-21-33(27-31)40-32-18-8-3-9-19-32/h1-9,12-19,21,27-28,36H,10-11,20,22-26H2