1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isobutyl-amino]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isobutyl-amino]-3-propargyloxy-propan-2-ol Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3/c1-5-17-33-21-24(32)19-30(18-22(3)4)20-26-27(6-2)29-31(23-13-9-7-10-14-23)28(26)34-25-15-11-8-12-16-25/h1,7-16,22,24,32H,6,17-21H2,2-4H3