1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(phenylmethyl)amino]hex-5-en-2-ol

Systemtic Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(phenylmethyl)amino]hex-5-en-2-ol Openeye Name: 1-[benzyl-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl]amino]hex-5-en-2-ol CAS Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-(phenylmethyl)amino]-5-hexen-2-ol IUPAC Name: 1-[benzyl-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]hex-5-en-2-ol Traditional Name: 1-[benzyl-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl]amino]hex-5-en-2-ol Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CN(CC2=CC=CC=C2)CC(CCC=C)O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=NN(C(=C1CN(CC2=CC=CC=C2)CC(CCC=C)O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H35N3O2/c1-3-5-19-27(35)23-33(22-25-15-9-6-10-16-25)24-29-30(4-2)32-34(26-17-11-7-12-18-26)31(29)36-28-20-13-8-14-21-28/h3,6-18,20-21,27,35H,1,4-5,19,22-24H2,2H3