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

Systemtic Name: 1-cyclohexyl-3-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(diphenylmethyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-cyclohexyl-urea CAS Name: 1-cyclohexyl-3-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-(diphenylmethyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-cyclohexylurea Traditional Name: 1-[2-(4-benzhydrylpiperazino)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-cyclohexyl-urea Formula: C36H46N6O2 MolecularWeight: 594.78944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H46N6O2/c43-35(42-21-10-19-37-20-22-42)30-17-18-33(32(27-30)39-36(44)38-31-15-8-3-9-16-31)40-23-25-41(26-24-40)34(28-11-4-1-5-12-28)29-13-6-2-7-14-29/h1-2,4-7,11-14,17-18,27,31,34,37H,3,8-10,15-16,19-26H2,(H2,38,39,44)