N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(4-azanylcyclohexyl)-3,3-dimethyl-butanamide

Systemtic Name: N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(4-azanylcyclohexyl)-3,3-dimethyl-butanamide Openeye Name: N-[(5-acetamido-2-chloro-phenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethyl-butanamide CAS Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide IUPAC Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide Traditional Name: N-(5-acetamido-2-chloro-benzyl)-N-(4-aminocyclohexyl)-3,3-dimethyl-butyramide Formula: C21H32ClN3O2 MolecularWeight: 393.95068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)CC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H32ClN3O2/c1-14(26)24-17-7-10-19(22)15(11-17)13-25(20(27)12-21(2,3)4)18-8-5-16(23)6-9-18/h7,10-11,16,18H,5-6,8-9,12-13,23H2,1-4H3,(H,24,26)