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

Systemtic Name: 5-bromanyl-8-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline CAS Name: 5-bromo-8-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-5-bromoquinoline Traditional Name: 8-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline Formula: C30H25BrN6O3 MolecularWeight: 597.4619

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H25BrN6O3/c31-24-13-14-25(26-23(24)12-7-15-32-26)40-30-28(37(38)39)29(33-20-34-30)36-18-16-35(17-19-36)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-15,20,27H,16-19H2