(3-nitro-4-pyrrolidin-1-yl-phenyl)-(4-pyridin-2-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-(4-pyridin-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone CAS Name: [3-nitro-4-(1-pyrrolidinyl)phenyl]-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-nitro-4-pyrrolidin-1-ylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (3-nitro-4-pyrrolidino-phenyl)-(4-picolinoylpiperazino)methanone Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c27-20(16-6-7-18(19(15-16)26(29)30)23-9-3-4-10-23)24-11-13-25(14-12-24)21(28)17-5-1-2-8-22-17/h1-2,5-8,15H,3-4,9-14H2