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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caproylpiperazino)phenyl]-3-(3-chloro-4-methyl-phenyl)urea Formula: C24H31ClN4O2 MolecularWeight: 442.98154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O2/c1-3-4-5-6-23(30)29-15-13-28(14-16-29)21-11-9-19(10-12-21)26-24(31)27-20-8-7-18(2)22(25)17-20/h7-12,17H,3-6,13-16H2,1-2H3,(H2,26,27,31)