5-(4-nitrophenyl)-2-(2-octadecan-4-ylphenyl)-3,4-dihydropyrazole

Systemtic Name: 5-(4-nitrophenyl)-2-(2-octadecan-4-ylphenyl)-3,4-dihydropyrazole Openeye Name: 5-(4-nitrophenyl)-2-[2-(1-propylpentadecyl)phenyl]-3,4-dihydropyrazole CAS Name: 5-(4-nitrophenyl)-2-(2-octadecan-4-ylphenyl)-3,4-dihydropyrazole IUPAC Name: 5-(4-nitrophenyl)-2-(2-octadecan-4-ylphenyl)-3,4-dihydropyrazole Traditional Name: 3-(4-nitrophenyl)-1-[2-(1-propylpentadecyl)phenyl]-2-pyrazoline Formula: C33H49N3O2 MolecularWeight: 519.76106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC)C1=CC=CC=C1N2CCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC)C1=CC=CC=C1N2CCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C33H49N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-28(18-4-2)31-20-16-17-21-33(31)35-27-26-32(34-35)29-22-24-30(25-23-29)36(37)38/h16-17,20-25,28H,3-15,18-19,26-27H2,1-2H3