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

Systemtic Name: 2-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N5O2/c31-30(32)23-24(28-13-10-20(11-14-28)16-19-6-2-1-3-7-19)26-18-27-25(23)29-15-12-21-8-4-5-9-22(21)17-29/h1-9,18,20H,10-17H2