1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]-3-methyl-butan-2-ol

Systemtic Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]-3-methyl-butan-2-ol Openeye Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(2-furylmethyl)amino]-3-methyl-butan-2-ol CAS Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-(2-furanylmethyl)amino]-3-methyl-2-butanol IUPAC Name: 1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]-3-methylbutan-2-ol Traditional Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(2-furfuryl)amino]-3-methyl-butan-2-ol Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CN(CC2=CC=CO2)CC(C(C)C)O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=NN(C(=C1CN(CC2=CC=CO2)CC(C(C)C)O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3/c1-4-26-25(19-30(20-27(32)21(2)3)18-24-16-11-17-33-24)28(34-23-14-9-6-10-15-23)31(29-26)22-12-7-5-8-13-22/h5-17,21,27,32H,4,18-20H2,1-3H3