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

Systemtic Name: 1-butyl-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-butyl-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-butyl-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-butyl-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-butyl-3-[4-(4-caprylylpiperazino)phenyl]urea Formula: C23H38N4O2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NCCCC

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NCCCC

InChI

InChI=1S/C23H38N4O2/c1-3-5-7-8-9-10-22(28)27-18-16-26(17-19-27)21-13-11-20(12-14-21)25-23(29)24-15-6-4-2/h11-14H,3-10,15-19H2,1-2H3,(H2,24,25,29)