4-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-morpholino-5-nitro-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-morpholino-5-nitro-benzoyl)piperazino]benzonitrile Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H23N5O4/c23-16-17-1-3-18(4-2-17)24-7-9-26(10-8-24)22(28)20-15-19(27(29)30)5-6-21(20)25-11-13-31-14-12-25/h1-6,15H,7-14H2