1-(3-methoxyphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(3-methoxyphenyl)urea Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C26H36N4O3/c1-3-4-5-6-7-11-25(31)30-18-16-29(17-19-30)23-14-12-21(13-15-23)27-26(32)28-22-9-8-10-24(20-22)33-2/h8-10,12-15,20H,3-7,11,16-19H2,1-2H3,(H2,27,28,32)