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

Systemtic Name: 2-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O2/c30-29(31)21-22(27-14-12-26(13-15-27)20-8-2-1-3-9-20)24-17-25-23(21)28-11-10-18-6-4-5-7-19(18)16-28/h1-9,17H,10-16H2