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

Systemtic Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C21H18ClN7O2 MolecularWeight: 435.86632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C21H18ClN7O2/c22-15-4-3-5-16(12-15)26-8-10-27(11-9-26)20-19(29(30)31)21(24-13-23-20)28-14-25-17-6-1-2-7-18(17)28/h1-7,12-14H,8-11H2