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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-16-13-19(7-8-20(16)24)31-23-21(28(29)30)22(25-15-26-23)27-11-9-18(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3