8-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline

Systemtic Name: 8-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Openeye Name: 8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline CAS Name: 8-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-2-methylquinoline IUPAC Name: 8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline Traditional Name: 8-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Formula: C31H28N6O3 MolecularWeight: 532.59242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C=C1

InChI

InChI=1S/C31H28N6O3/c1-22-15-16-23-13-8-14-26(27(23)34-22)40-31-29(37(38)39)30(32-21-33-31)36-19-17-35(18-20-36)28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-16,21,28H,17-20H2,1H3