1-cyclohexyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]urea

Systemtic Name: 1-cyclohexyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-cyclohexyl-urea CAS Name: 1-cyclohexyl-3-[5-[oxo(1-piperazinyl)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-cyclohexylurea Traditional Name: 1-[2-(4-benzylpiperazino)-5-(piperazine-1-carbonyl)phenyl]-3-cyclohexyl-urea Formula: C29H40N6O2 MolecularWeight: 504.6669

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H40N6O2/c36-28(35-15-13-30-14-16-35)24-11-12-27(26(21-24)32-29(37)31-25-9-5-2-6-10-25)34-19-17-33(18-20-34)22-23-7-3-1-4-8-23/h1,3-4,7-8,11-12,21,25,30H,2,5-6,9-10,13-20,22H2,(H2,31,32,37)