N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine

Systemtic Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine Openeye Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine CAS Name: N-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-methyl-5-quinolinamine IUPAC Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-5-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C24H22ClN7O2 MolecularWeight: 475.93018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H22ClN7O2/c1-16-8-9-19-20(28-16)6-3-7-21(19)29-23-22(32(33)34)24(27-15-26-23)31-12-10-30(11-13-31)18-5-2-4-17(25)14-18/h2-9,14-15H,10-13H2,1H3,(H,26,27,29)