4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O3/c1-16-12-20(13-17(2)21(16)25)32-24-22(29(30)31)23(26-15-27-24)28-10-8-19(9-11-28)14-18-6-4-3-5-7-18/h3-7,12-13,15,19H,8-11,14H2,1-2H3