1-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]urea CAS Name: 1-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]urea Traditional Name: 1-benzyl-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]urea Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4O2/c1-16-7-8-18(22)13-19(16)25-9-11-26(12-10-25)20(27)15-24-21(28)23-14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H2,23,24,28)