2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-6-(1-piperidylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]-6-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(3-nitrobenzyl)piperazino]-6-(piperidinomethyl)-1H-pyrimidin-4-one Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c28-20-14-18(16-24-7-2-1-3-8-24)22-21(23-20)26-11-9-25(10-12-26)15-17-5-4-6-19(13-17)27(29)30/h4-6,13-14H,1-3,7-12,15-16H2,(H,22,23,28)