4-[[4-(2-nitrophenyl)phenyl]methyl]-5-(phenylmethoxymethyl)-3-propyl-1H-pyrazole

Systemtic Name: 4-[[4-(2-nitrophenyl)phenyl]methyl]-5-(phenylmethoxymethyl)-3-propyl-1H-pyrazole Openeye Name: 5-(benzyloxymethyl)-4-[[4-(2-nitrophenyl)phenyl]methyl]-3-propyl-1H-pyrazole CAS Name: 4-[[4-(2-nitrophenyl)phenyl]methyl]-5-(phenylmethoxymethyl)-3-propyl-1H-pyrazole IUPAC Name: 4-[[4-(2-nitrophenyl)phenyl]methyl]-5-(phenylmethoxymethyl)-3-propyl-1H-pyrazole Traditional Name: 5-(benzoxymethyl)-4-[4-(2-nitrophenyl)benzyl]-3-propyl-1H-pyrazole Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])COCC4=CC=CC=C4

Isomeric SMILES

CCCC1=NNC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])COCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-2-8-25-24(26(29-28-25)19-33-18-21-9-4-3-5-10-21)17-20-13-15-22(16-14-20)23-11-6-7-12-27(23)30(31)32/h3-7,9-16H,2,8,17-19H2,1H3,(H,28,29)