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

Systemtic Name: 1-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)urea CAS Name: 1-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)urea Traditional Name: 1-[2-(4-benzhydrylpiperazino)-5-(piperazine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)urea Formula: C37H42N6O2 MolecularWeight: 602.76838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C37H42N6O2/c1-27-13-15-32(28(2)25-27)39-37(45)40-33-26-31(36(44)43-19-17-38-18-20-43)14-16-34(33)41-21-23-42(24-22-41)35(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-16,25-26,35,38H,17-24H2,1-2H3,(H2,39,40,45)