1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C20H17ClN8O2 MolecularWeight: 436.85438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H17ClN8O2/c21-14-4-3-5-15(12-14)26-8-10-27(11-9-26)19-18(29(30)31)20(23-13-22-19)28-17-7-2-1-6-16(17)24-25-28/h1-7,12-13H,8-11H2