methyl 2-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C30H30N6O4 MolecularWeight: 538.597

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N6O4/c1-33(25-16-10-9-15-24(25)30(37)40-2)28-27(36(38)39)29(32-21-31-28)35-19-17-34(18-20-35)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,26H,17-20H2,1-2H3