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

Systemtic Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)-1,3-diazinane Openeye Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)hexahydropyrimidine CAS Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-(4-nitrophenyl)-1,3-diazinane IUPAC Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-nitrophenyl)-1,3-diazinane Traditional Name: 1,3-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)hexahydropyrimidine Formula: C44H41N7O4 MolecularWeight: 731.84084

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C44H41N7O4/c1-54-40-22-16-32(17-23-40)42-35(30-49(45-42)37-10-5-3-6-11-37)28-47-26-9-27-48(44(47)34-14-20-39(21-15-34)51(52)53)29-36-31-50(38-12-7-4-8-13-38)46-43(36)33-18-24-41(55-2)25-19-33/h3-8,10-25,30-31,44H,9,26-29H2,1-2H3