4-(4-methylphenyl)-5-(4-nitrophenoxy)-6-phenyl-2-piperidin-1-yl-pyrimidine

Systemtic Name: 4-(4-methylphenyl)-5-(4-nitrophenoxy)-6-phenyl-2-piperidin-1-yl-pyrimidine Openeye Name: 5-(4-nitrophenoxy)-4-phenyl-2-(1-piperidyl)-6-(p-tolyl)pyrimidine CAS Name: 4-(4-methylphenyl)-5-(4-nitrophenoxy)-6-phenyl-2-(1-piperidinyl)pyrimidine IUPAC Name: 4-(4-methylphenyl)-5-(4-nitrophenoxy)-6-phenyl-2-piperidin-1-ylpyrimidine Traditional Name: 5-(4-nitrophenoxy)-4-phenyl-2-piperidino-6-(p-tolyl)pyrimidine Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC(=C2OC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC(=C2OC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C28H26N4O3/c1-20-10-12-22(13-11-20)26-27(35-24-16-14-23(15-17-24)32(33)34)25(21-8-4-2-5-9-21)29-28(30-26)31-18-6-3-7-19-31/h2,4-5,8-17H,3,6-7,18-19H2,1H3