N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]cyclohexanecarboxamide CAS Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[2-[[[3-(aminomethyl)benzyl]-(cyclohexanecarbonyl)amino]methyl]phenyl]cyclohexanecarboxamide Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=CC=C2CN(CC3=CC=CC(=C3)CN)C(=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=CC=C2CN(CC3=CC=CC(=C3)CN)C(=O)C4CCCCC4

InChI

InChI=1S/C29H39N3O2/c30-19-22-10-9-11-23(18-22)20-32(29(34)25-14-5-2-6-15-25)21-26-16-7-8-17-27(26)31-28(33)24-12-3-1-4-13-24/h7-11,16-18,24-25H,1-6,12-15,19-21,30H2,(H,31,33)