(5-nitro-2-piperidin-1-yl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-nitro-2-piperidin-1-yl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-nitro-2-(1-piperidyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-nitro-2-(1-piperidinyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-nitro-2-piperidin-1-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (5-nitro-2-piperidino-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O3/c27-19(24-11-13-25(14-12-24)20-21-7-4-8-22-20)17-15-16(26(28)29)5-6-18(17)23-9-2-1-3-10-23/h4-8,15H,1-3,9-14H2