methyl 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-29-20(26)15-7-9-23(10-8-15)18-17(25(27)28)19(22-13-21-18)24-11-6-14-4-2-3-5-16(14)12-24/h2-5,13,15H,6-12H2,1H3