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

Systemtic Name: 2-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C30H30N6O2 MolecularWeight: 506.5982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H30N6O2/c37-36(38)28-29(31-22-32-30(28)35-16-15-23-9-7-8-14-26(23)21-35)34-19-17-33(18-20-34)27(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-14,22,27H,15-21H2