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

Systemtic Name: 2-methyl-N-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-8-amine Openeye Name: N-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: 2-methyl-N-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-8-quinolinamine IUPAC Name: N-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5)C=C1

InChI

InChI=1S/C26H26N6O2/c1-18-10-11-21-8-5-9-22(23(21)29-18)30-25-24(32(33)34)26(28-17-27-25)31-14-12-20(13-15-31)16-19-6-3-2-4-7-19/h2-11,17,20H,12-16H2,1H3,(H,27,28,30)