3-(2-aminophenyl)-1-[[3-[[(2-aminophenyl)carbamoyl-cycloheptyl-amino]methyl]phenyl]methyl]-1-cycloheptyl-urea

Systemtic Name: 3-(2-aminophenyl)-1-[[3-[[(2-aminophenyl)carbamoyl-cycloheptyl-amino]methyl]phenyl]methyl]-1-cycloheptyl-urea Openeye Name: 3-(2-aminophenyl)-1-[[3-[[(2-aminophenyl)carbamoyl-cycloheptyl-amino]methyl]phenyl]methyl]-1-cycloheptyl-urea CAS Name: 1-[[3-[[[(2-aminoanilino)-oxomethyl]-cycloheptylamino]methyl]phenyl]methyl]-3-(2-aminophenyl)-1-cycloheptylurea IUPAC Name: 3-(2-aminophenyl)-1-[[3-[[(2-aminophenyl)carbamoyl-cycloheptylamino]methyl]phenyl]methyl]-1-cycloheptylurea Traditional Name: 3-(2-aminophenyl)-1-[3-[[(2-aminophenyl)carbamoyl-cycloheptyl-amino]methyl]benzyl]-1-cycloheptyl-urea Formula: C36H48N6O2 MolecularWeight: 596.80532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CC2=CC(=CC=C2)CN(C3CCCCCC3)C(=O)NC4=CC=CC=C4N)C(=O)NC5=CC=CC=C5N

Isomeric SMILES

C1CCCC(CC1)N(CC2=CC(=CC=C2)CN(C3CCCCCC3)C(=O)NC4=CC=CC=C4N)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C36H48N6O2/c37-31-20-9-11-22-33(31)39-35(43)41(29-16-5-1-2-6-17-29)25-27-14-13-15-28(24-27)26-42(30-18-7-3-4-8-19-30)36(44)40-34-23-12-10-21-32(34)38/h9-15,20-24,29-30H,1-8,16-19,25-26,37-38H2,(H,39,43)(H,40,44)