3-butyl-5-(methoxymethyl)-4-(6-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-1H-pyrazole

Systemtic Name: 3-butyl-5-(methoxymethyl)-4-(6-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-1H-pyrazole Openeye Name: 3-butyl-5-(methoxymethyl)-4-(6-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-1H-pyrazole CAS Name: 3-butyl-5-(methoxymethyl)-4-(6-methyl-4-phenyl-1-cyclohexa-1,5-dienyl)-1H-pyrazole IUPAC Name: 3-butyl-5-(methoxymethyl)-4-(6-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-1H-pyrazole Traditional Name: 3-butyl-5-(methoxymethyl)-4-(6-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-1H-pyrazole Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=C1C2=CCC(C=C2C)C3=CC=CC=C3)COC

Isomeric SMILES

CCCCC1=NNC(=C1C2=CCC(C=C2C)C3=CC=CC=C3)COC

InChI

InChI=1S/C22H28N2O/c1-4-5-11-20-22(21(15-25-3)24-23-20)19-13-12-18(14-16(19)2)17-9-7-6-8-10-17/h6-10,13-14,18H,4-5,11-12,15H2,1-3H3,(H,23,24)