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

Systemtic Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol Openeye Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isobutyl-amino]hex-5-en-2-ol CAS Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-(2-methylpropyl)amino]-5-hexen-2-ol IUPAC Name: 1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol Traditional Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isobutyl-amino]hex-5-en-2-ol Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CN(CC(C)C)CC(CCC=C)O)OC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1CN(CC(C)C)CC(CCC=C)O)OC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H37N3O2/c1-5-7-16-24(32)20-30(19-22(3)4)21-26-27(6-2)29-31(23-14-10-8-11-15-23)28(26)33-25-17-12-9-13-18-25/h5,8-15,17-18,22,24,32H,1,6-7,16,19-21H2,2-4H3