1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C25H26N6O4/c32-31(33)23-24(26-16-27-25(23)30-9-3-5-19-4-1-2-6-20(19)30)29-12-10-28(11-13-29)15-18-7-8-21-22(14-18)35-17-34-21/h1-2,4,6-8,14,16H,3,5,9-13,15,17H2