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

Systemtic Name: N-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O2/c32-31(33)23-24(29-22-10-4-9-21-20(22)8-5-13-26-21)27-17-28-25(23)30-14-11-19(12-15-30)16-18-6-2-1-3-7-18/h1-10,13,17,19H,11-12,14-16H2,(H,27,28,29)