4-(4-methoxyphenyl)-5-[2-(6-piperazin-1-ylhexoxy)-4-propan-2-yloxy-phenyl]-1,2-oxazole

Systemtic Name: 4-(4-methoxyphenyl)-5-[2-(6-piperazin-1-ylhexoxy)-4-propan-2-yloxy-phenyl]-1,2-oxazole Openeye Name: 5-[4-isopropoxy-2-(6-piperazin-1-ylhexoxy)phenyl]-4-(4-methoxyphenyl)isoxazole CAS Name: 4-(4-methoxyphenyl)-5-[2-[6-(1-piperazinyl)hexoxy]-4-propan-2-yloxyphenyl]isoxazole IUPAC Name: 4-(4-methoxyphenyl)-5-[2-(6-piperazin-1-ylhexoxy)-4-propan-2-yloxyphenyl]-1,2-oxazole Traditional Name: 5-[4-isopropoxy-2-(6-piperazinohexoxy)phenyl]-4-(4-methoxyphenyl)isoxazole Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)C2=C(C=NO2)C3=CC=C(C=C3)OC)OCCCCCCN4CCNCC4

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)C2=C(C=NO2)C3=CC=C(C=C3)OC)OCCCCCCN4CCNCC4

InChI

InChI=1S/C29H39N3O4/c1-22(2)35-25-12-13-26(29-27(21-31-36-29)23-8-10-24(33-3)11-9-23)28(20-25)34-19-7-5-4-6-16-32-17-14-30-15-18-32/h8-13,20-22,30H,4-7,14-19H2,1-3H3