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

Systemtic Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-propan-2-yl-amino]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isopropyl-amino]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-propan-2-ylamino]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-propan-2-ylamino]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-isopropyl-amino]-3-propargyloxy-propan-2-ol Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-5-17-32-20-23(31)18-29(21(3)4)19-25-26(6-2)28-30(22-13-9-7-10-14-22)27(25)33-24-15-11-8-12-16-24/h1,7-16,21,23,31H,6,17-20H2,2-4H3