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

Systemtic Name: 2-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(5-nitro-6-piperidino-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H21N5O2/c24-23(25)16-17(21-9-4-1-5-10-21)19-13-20-18(16)22-11-8-14-6-2-3-7-15(14)12-22/h2-3,6-7,13H,1,4-5,8-12H2