1-[1-(4-chlorophenyl)ethyl]-1-methyl-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-[1-(4-chlorophenyl)ethyl]-1-methyl-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[1-(4-chlorophenyl)ethyl]-1-methyl-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-[1-(4-chlorophenyl)ethyl]-1-methyl-3-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-[1-(4-chlorophenyl)ethyl]-1-methyl-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[1-(4-chlorophenyl)ethyl]-1-methyl-3-[2-methyl-4-(4-methylpiperazino)phenyl]urea Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)N(C)C(C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)N(C)C(C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN4O/c1-16-15-20(27-13-11-25(3)12-14-27)9-10-21(16)24-22(28)26(4)17(2)18-5-7-19(23)8-6-18/h5-10,15,17H,11-14H2,1-4H3,(H,24,28)