N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C23H20ClN7O2 MolecularWeight: 461.9036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN7O2/c24-16-4-1-5-17(14-16)29-10-12-30(13-11-29)23-21(31(32)33)22(26-15-27-23)28-20-8-2-7-19-18(20)6-3-9-25-19/h1-9,14-15H,10-13H2,(H,26,27,28)