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

Systemtic Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]butan-2-ol Openeye Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(2-furylmethyl)amino]butan-2-ol CAS Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-(2-furanylmethyl)amino]-2-butanol IUPAC Name: 1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]butan-2-ol Traditional Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(2-furfuryl)amino]butan-2-ol Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-3-22(31)18-29(19-24-16-11-17-32-24)20-25-26(4-2)28-30(21-12-7-5-8-13-21)27(25)33-23-14-9-6-10-15-23/h5-17,22,31H,3-4,18-20H2,1-2H3