N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C24H22FN7O2 MolecularWeight: 459.475583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=C(C=C5)F)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=C(C=C5)F)C=C1

InChI

InChI=1S/C24H22FN7O2/c1-16-5-6-17-3-2-4-20(21(17)28-16)29-23-22(32(33)34)24(27-15-26-23)31-13-11-30(12-14-31)19-9-7-18(25)8-10-19/h2-10,15H,11-14H2,1H3,(H,26,27,29)