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

Systemtic Name: 1-tert-butyl-3-[2-[4-(diphenylmethyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-tert-butyl-urea CAS Name: 1-tert-butyl-3-[2-[4-(diphenylmethyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]urea IUPAC Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-tert-butylurea Traditional Name: 1-[2-(4-benzhydrylpiperazino)-5-(piperazine-1-carbonyl)phenyl]-3-tert-butyl-urea Formula: C33H42N6O2 MolecularWeight: 554.72558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)NC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H42N6O2/c1-33(2,3)36-32(41)35-28-24-27(31(40)39-18-16-34-17-19-39)14-15-29(28)37-20-22-38(23-21-37)30(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-15,24,30,34H,16-23H2,1-3H3,(H2,35,36,41)