1-(3-chlorophenyl)-4-[1-(1H-imidazol-5-yl)-2-(4-nitrophenyl)ethyl]piperazin-2-one

Systemtic Name: 1-(3-chlorophenyl)-4-[1-(1H-imidazol-5-yl)-2-(4-nitrophenyl)ethyl]piperazin-2-one Openeye Name: 1-(3-chlorophenyl)-4-[1-(1H-imidazol-5-yl)-2-(4-nitrophenyl)ethyl]piperazin-2-one CAS Name: 1-(3-chlorophenyl)-4-[1-(1H-imidazol-5-yl)-2-(4-nitrophenyl)ethyl]-2-piperazinone IUPAC Name: 1-(3-chlorophenyl)-4-[1-(1H-imidazol-5-yl)-2-(4-nitrophenyl)ethyl]piperazin-2-one Traditional Name: 1-(3-chlorophenyl)-4-[1-(1H-imidazol-5-yl)-2-(4-nitrophenyl)ethyl]piperazin-2-one Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CN3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(=O)CN1C(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CN3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O3/c22-16-2-1-3-18(11-16)26-9-8-25(13-21(26)28)20(19-12-23-14-24-19)10-15-4-6-17(7-5-15)27(29)30/h1-7,11-12,14,20H,8-10,13H2,(H,23,24)