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

Systemtic Name: 3-(3-aminophenyl)-1-[[3-[[(3-aminophenyl)carbamoyl-cycloheptyl-amino]methyl]phenyl]methyl]-1-cycloheptyl-urea Openeye Name: 3-(3-aminophenyl)-1-[[3-[[(3-aminophenyl)carbamoyl-cycloheptyl-amino]methyl]phenyl]methyl]-1-cycloheptyl-urea CAS Name: 1-[[3-[[[(3-aminoanilino)-oxomethyl]-cycloheptylamino]methyl]phenyl]methyl]-3-(3-aminophenyl)-1-cycloheptylurea IUPAC Name: 3-(3-aminophenyl)-1-[[3-[[(3-aminophenyl)carbamoyl-cycloheptylamino]methyl]phenyl]methyl]-1-cycloheptylurea Traditional Name: 3-(3-aminophenyl)-1-[3-[[(3-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(=C4)N)C(=O)NC5=CC=CC(=C5)N

Isomeric SMILES

C1CCCC(CC1)N(CC2=CC(=CC=C2)CN(C3CCCCCC3)C(=O)NC4=CC=CC(=C4)N)C(=O)NC5=CC=CC(=C5)N

InChI

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