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

Systemtic Name: 2-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H23N5O2/c1-14-5-4-9-22(11-14)18-17(24(25)26)19(21-13-20-18)23-10-8-15-6-2-3-7-16(15)12-23/h2-3,6-7,13-14H,4-5,8-12H2,1H3