5-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 5-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-[4-(6-chloro-3-pyridazinyl)-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-[4-(6-chloropyridazin-3-yl)piperazino]-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C20H20ClN7O2 MolecularWeight: 425.8715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN7O2/c21-19-5-6-20(25-24-19)27-10-8-26(9-11-27)16-3-4-18(28(29)30)17(12-16)23-14-15-2-1-7-22-13-15/h1-7,12-13,23H,8-11,14H2