N-(3-azanylpropyl)-N-[[2-chloranyl-5-(cyclobutylcarbonylamino)phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(cyclobutylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-(cyclobutanecarbonylamino)benzyl]-4-cyano-benzamide Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25ClN4O2/c24-21-10-9-20(27-22(29)17-3-1-4-17)13-19(21)15-28(12-2-11-25)23(30)18-7-5-16(14-26)6-8-18/h5-10,13,17H,1-4,11-12,15,25H2,(H,27,29)