3-(3-cyclopentyloxy-4-methoxy-phenyl)-1-[(4-nitrophenyl)methyl]pyrazole

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-1-[(4-nitrophenyl)methyl]pyrazole Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-[(4-nitrophenyl)methyl]pyrazole CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]pyrazole IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]pyrazole Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-nitrobenzyl)pyrazole Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])OC4CCCC4

InChI

InChI=1S/C22H23N3O4/c1-28-21-11-8-17(14-22(21)29-19-4-2-3-5-19)20-12-13-24(23-20)15-16-6-9-18(10-7-16)25(26)27/h6-14,19H,2-5,15H2,1H3