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

Systemtic Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCCC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCCC5=CC=CC=C54)C

InChI

InChI=1S/C25H28N6O2/c1-18-7-5-11-21(19(18)2)28-13-15-29(16-14-28)24-23(31(32)33)25(27-17-26-24)30-12-6-9-20-8-3-4-10-22(20)30/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3