1-(3-chlorophenyl)-3-[1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]urea Openeye Name: 1-[1-benzyl-2-(3-methyl-4-octanoyl-piperazin-1-yl)-2-oxo-ethyl]-3-(3-chlorophenyl)urea CAS Name: 1-(3-chlorophenyl)-3-[1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea Traditional Name: 1-[1-benzyl-2-(4-caprylyl-3-methyl-piperazino)-2-keto-ethyl]-3-(3-chlorophenyl)urea Formula: C29H39ClN4O3 MolecularWeight: 527.09796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C29H39ClN4O3/c1-3-4-5-6-10-16-27(35)34-18-17-33(21-22(34)2)28(36)26(19-23-12-8-7-9-13-23)32-29(37)31-25-15-11-14-24(30)20-25/h7-9,11-15,20,22,26H,3-6,10,16-19,21H2,1-2H3,(H2,31,32,37)