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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[2-chloranyl-5-(cyclopropylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[2-chloro-5-(cyclopropanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-(cyclopropanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[2-chloro-5-(cyclopropanecarbonylamino)benzyl]-4-cyano-benzamide Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2CC2)Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2CC2)Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27ClN4O2/c1-24(2,14-27)15-29(23(31)18-5-3-16(12-26)4-6-18)13-19-11-20(9-10-21(19)25)28-22(30)17-7-8-17/h3-6,9-11,17H,7-8,13-15,27H2,1-2H3,(H,28,30)