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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(3-chloro-4-methyl-phenyl)urea Formula: C26H35ClN4O2 MolecularWeight: 471.0347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClN4O2/c1-3-4-5-6-7-8-25(32)31-17-15-30(16-18-31)23-13-11-21(12-14-23)28-26(33)29-22-10-9-20(2)24(27)19-22/h9-14,19H,3-8,15-18H2,1-2H3,(H2,28,29,33)