1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-phenyl-1,3-diazinane

Systemtic Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-phenyl-1,3-diazinane Openeye Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-phenyl-hexahydropyrimidine CAS Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-phenyl-1,3-diazinane IUPAC Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenyl-1,3-diazinane Traditional Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-phenyl-hexahydropyrimidine Formula: C44H42N6O2 MolecularWeight: 686.84328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CN3CCCN(C3C4=CC=CC=C4)CC5=CN(N=C5C6=CC=C(C=C6)OC)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CN3CCCN(C3C4=CC=CC=C4)CC5=CN(N=C5C6=CC=C(C=C6)OC)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H42N6O2/c1-51-40-23-19-33(20-24-40)42-36(31-49(45-42)38-15-8-4-9-16-38)29-47-27-12-28-48(44(47)35-13-6-3-7-14-35)30-37-32-50(39-17-10-5-11-18-39)46-43(37)34-21-25-41(52-2)26-22-34/h3-11,13-26,31-32,44H,12,27-30H2,1-2H3