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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-chloro-4-methyl-phenyl)urea CAS Name: 1-[4-(4-benzoyl-1-piperazinyl)phenyl]-3-(3-chloro-4-methylphenyl)urea IUPAC Name: 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-chloro-4-methylphenyl)urea Traditional Name: 1-[4-(4-benzoylpiperazino)phenyl]-3-(3-chloro-4-methyl-phenyl)urea Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H25ClN4O2/c1-18-7-8-21(17-23(18)26)28-25(32)27-20-9-11-22(12-10-20)29-13-15-30(16-14-29)24(31)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H2,27,28,32)