4-[3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-pyrrolidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-pyrrolidin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-oxo-pyrrolidin-1-yl]benzonitrile CAS Name: 4-[3-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-2-oxo-1-pyrrolidinyl]benzonitrile IUPAC Name: 4-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile Traditional Name: 4-[3-[4-(2,4-dichlorobenzoyl)piperazino]-2-keto-pyrrolidino]benzonitrile Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(=O)C1N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20Cl2N4O2/c23-16-3-6-18(19(24)13-16)21(29)27-11-9-26(10-12-27)20-7-8-28(22(20)30)17-4-1-15(14-25)2-5-17/h1-6,13,20H,7-12H2