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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N4O2/c1-14(20(28)25-19-5-3-2-4-15(19)13-24)26-8-10-27(11-9-26)21(29)17-7-6-16(22)12-18(17)23/h2-7,12,14H,8-11H2,1H3,(H,25,28)