8-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-(2,4-dinitrophenyl)-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-(2,4-dinitrophenyl)piperazino]methyl]quinoline Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c26-24(27)17-6-7-18(19(13-17)25(28)29)23-11-9-22(10-12-23)14-16-4-1-3-15-5-2-8-21-20(15)16/h1-8,13H,9-12,14H2