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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)CC(C)(C)C)Cl)C2CCCCC2N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)CC(C)(C)C)Cl)C2CCCCC2N

InChI

InChI=1S/C21H32ClN3O2/c1-14(26)25(19-8-6-5-7-18(19)23)13-15-11-16(9-10-17(15)22)24-20(27)12-21(2,3)4/h9-11,18-19H,5-8,12-13,23H2,1-4H3,(H,24,27)