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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]urea hydrochloride Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]urea hydrochloride CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-methyl-3-(4-methyl-1-piperazinyl)phenyl]urea hydrochloride IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]urea hydrochloride Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-methyl-3-(4-methylpiperazino)phenyl]urea hydrochloride Formula: C20H26Cl2N4O MolecularWeight: 409.35264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O.ClH/c1-14-4-6-16(12-18(14)21)22-20(26)23-17-7-5-15(2)19(13-17)25-10-8-24(3)9-11-25;/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,26);1H