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

Systemtic Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-propan-2-yl-amino]hex-5-en-2-ol Openeye Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isopropyl-amino]hex-5-en-2-ol CAS Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-propan-2-ylamino]-5-hexen-2-ol IUPAC Name: 1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-propan-2-ylamino]hex-5-en-2-ol Traditional Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isopropyl-amino]hex-5-en-2-ol Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2/c1-5-7-16-23(31)19-29(21(3)4)20-25-26(6-2)28-30(22-14-10-8-11-15-22)27(25)32-24-17-12-9-13-18-24/h5,8-15,17-18,21,23,31H,1,6-7,16,19-20H2,2-4H3