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

Systemtic Name: 1-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(diphenylmethyl)piperazin-1-yl]phenyl]-3-phenyl-urea Openeye Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-phenyl-urea CAS Name: 1-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-(diphenylmethyl)-1-piperazinyl]phenyl]-3-phenylurea IUPAC Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-phenylurea Traditional Name: 1-[2-(4-benzhydrylpiperazino)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-phenyl-urea Formula: C36H40N6O2 MolecularWeight: 588.7418

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)NC6=CC=CC=C6

InChI

InChI=1S/C36H40N6O2/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/h1-9,11-18,27,34,37H,10,19-26H2,(H2,38,39,44)