5-nitro-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 5-nitro-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-(4-cinnamylpiperazin-1-yl)-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 5-nitro-4-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 5-nitro-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-(4-cinnamylpiperazino)-5-nitro-6-piperidino-pyrimidine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O2/c29-28(30)20-21(26-12-5-2-6-13-26)23-18-24-22(20)27-16-14-25(15-17-27)11-7-10-19-8-3-1-4-9-19/h1,3-4,7-10,18H,2,5-6,11-17H2