N-(3-azanyl-2,2-dimethyl-propyl)-N-[[2-chloranyl-5-(cyclohexylcarbonylamino)phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[2-chloranyl-5-(cyclohexylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[[cyclohexyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[2-chloro-5-(cyclohexanecarbonylamino)benzyl]-4-cyano-benzamide Formula: C27H33ClN4O2 MolecularWeight: 481.02952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2CCCCC2)Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2CCCCC2)Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H33ClN4O2/c1-27(2,17-30)18-32(26(34)21-10-8-19(15-29)9-11-21)16-22-14-23(12-13-24(22)28)31-25(33)20-6-4-3-5-7-20/h8-14,20H,3-7,16-18,30H2,1-2H3,(H,31,33)