N-(3-cyanophenyl)-3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-3-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-3-[4-(2,4-dichlorobenzoyl)piperazino]propionamide Formula: C21H20Cl2N4O2 MolecularWeight: 431.3151

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N4O2/c22-16-4-5-18(19(23)13-16)21(29)27-10-8-26(9-11-27)7-6-20(28)25-17-3-1-2-15(12-17)14-24/h1-5,12-13H,6-11H2,(H,25,28)