2-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H25N5O2/c1-2-17-9-5-6-11-24(17)20-18(25(26)27)19(21-14-22-20)23-12-10-15-7-3-4-8-16(15)13-23/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3