1-cycloheptyl-1-[[2-[cycloheptyl-[(4-dimethylaminophenyl)carbamoyl]amino]-3-methyl-phenyl]methyl]-3-[4-(methylamino)phenyl]urea

Systemtic Name: 1-cycloheptyl-1-[[2-[cycloheptyl-[(4-dimethylaminophenyl)carbamoyl]amino]-3-methyl-phenyl]methyl]-3-[4-(methylamino)phenyl]urea Openeye Name: 1-cycloheptyl-1-[[2-[cycloheptyl-[(4-dimethylaminophenyl)carbamoyl]amino]-3-methyl-phenyl]methyl]-3-[4-(methylamino)phenyl]urea CAS Name: 1-cycloheptyl-1-[[2-[cycloheptyl-[[4-(dimethylamino)anilino]-oxomethyl]amino]-3-methylphenyl]methyl]-3-[4-(methylamino)phenyl]urea IUPAC Name: 1-cycloheptyl-1-[[2-[cycloheptyl-[(4-dimethylaminophenyl)carbamoyl]amino]-3-methylphenyl]methyl]-3-[4-(methylamino)phenyl]urea Traditional Name: 1-cycloheptyl-1-[2-[cycloheptyl-[(4-dimethylaminophenyl)carbamoyl]amino]-3-methyl-benzyl]-3-[4-(methylamino)phenyl]urea Formula: C39H54N6O2 MolecularWeight: 638.88506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CN(C2CCCCCC2)C(=O)NC3=CC=C(C=C3)NC)N(C4CCCCCC4)C(=O)NC5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)CN(C2CCCCCC2)C(=O)NC3=CC=C(C=C3)NC)N(C4CCCCCC4)C(=O)NC5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C39H54N6O2/c1-29-14-13-15-30(28-44(35-16-9-5-6-10-17-35)38(46)41-32-22-20-31(40-2)21-23-32)37(29)45(36-18-11-7-8-12-19-36)39(47)42-33-24-26-34(27-25-33)43(3)4/h13-15,20-27,35-36,40H,5-12,16-19,28H2,1-4H3,(H,41,46)(H,42,47)