3-[5-butyl-3-(methoxymethyl)-1-prop-2-enyl-pyrazol-4-yl]-2-methyl-1-(2-phenylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 3-[5-butyl-3-(methoxymethyl)-1-prop-2-enyl-pyrazol-4-yl]-2-methyl-1-(2-phenylphenyl)-1,2,3,4-tetrazole Openeye Name: 3-[1-allyl-5-butyl-3-(methoxymethyl)pyrazol-4-yl]-2-methyl-1-(2-phenylphenyl)tetrazole CAS Name: 3-[5-butyl-3-(methoxymethyl)-1-prop-2-enyl-4-pyrazolyl]-2-methyl-1-(2-phenylphenyl)tetrazole IUPAC Name: 3-[5-butyl-3-(methoxymethyl)-1-prop-2-enylpyrazol-4-yl]-2-methyl-1-(2-phenylphenyl)tetrazole Traditional Name: 3-[1-allyl-5-butyl-3-(methoxymethyl)pyrazol-4-yl]-2-methyl-1-(2-phenylphenyl)tetrazole Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1CC=C)COC)N2N=CN(N2C)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C(=NN1CC=C)COC)N2N=CN(N2C)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H32N6O/c1-5-7-16-25-26(23(19-33-4)28-30(25)18-6-2)32-27-20-31(29(32)3)24-17-12-11-15-22(24)21-13-9-8-10-14-21/h6,8-15,17,20H,2,5,7,16,18-19H2,1,3-4H3