N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-tert-butyl-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-4-tert-butylbenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-tert-butyl-benzamide Formula: C31H42ClN3O2 MolecularWeight: 524.13708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4CCCCC4

InChI

InChI=1S/C31H42ClN3O2/c1-31(2,3)24-15-13-21(14-16-24)29(36)34-25-17-18-26(32)23(19-25)20-35(28-12-8-7-11-27(28)33)30(37)22-9-5-4-6-10-22/h13-19,22,27-28H,4-12,20,33H2,1-3H3,(H,34,36)