4-(4-chloranyl-3-methyl-phenoxy)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine Formula: C28H26ClN5O3 MolecularWeight: 515.99074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H26ClN5O3/c1-20-18-23(12-13-24(20)29)37-28-26(34(35)36)27(30-19-31-28)33-16-14-32(15-17-33)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18-19,25H,14-17H2,1H3