6-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2-morpholino-5-nitro-benzoyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2-morpholino-5-nitro-benzoyl)piperazino]nicotinonitrile Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4/c22-14-16-1-4-20(23-15-16)25-5-7-26(8-6-25)21(28)18-13-17(27(29)30)2-3-19(18)24-9-11-31-12-10-24/h1-4,13,15H,5-12H2