3-[[(3-chloranyl-4-cyano-phenyl)carbamoylamino]methyl]-N-[4-(dimethylaminomethyl)phenyl]benzamide

Systemtic Name: 3-[[(3-chloranyl-4-cyano-phenyl)carbamoylamino]methyl]-N-[4-(dimethylaminomethyl)phenyl]benzamide Openeye Name: 3-[[(3-chloro-4-cyano-phenyl)carbamoylamino]methyl]-N-[4-(dimethylaminomethyl)phenyl]benzamide CAS Name: 3-[[[(3-chloro-4-cyanoanilino)-oxomethyl]amino]methyl]-N-[4-(dimethylaminomethyl)phenyl]benzamide IUPAC Name: 3-[[(3-chloro-4-cyanophenyl)carbamoylamino]methyl]-N-[4-(dimethylaminomethyl)phenyl]benzamide Traditional Name: 3-[[(3-chloro-4-cyano-phenyl)carbamoylamino]methyl]-N-[4-(dimethylaminomethyl)phenyl]benzamide Formula: C25H24ClN5O2 MolecularWeight: 461.94336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CNC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CNC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C25H24ClN5O2/c1-31(2)16-17-6-9-21(10-7-17)29-24(32)19-5-3-4-18(12-19)15-28-25(33)30-22-11-8-20(14-27)23(26)13-22/h3-13H,15-16H2,1-2H3,(H,29,32)(H2,28,30,33)