(5R,10bS)-2-(4-prop-2-enoxyphenyl)-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

Systemtic Name: (5R,10bS)-2-(4-prop-2-enoxyphenyl)-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine Openeye Name: (5R,10bS)-2-(4-allyloxyphenyl)-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine CAS Name: (5R,10bS)-2-(4-prop-2-enoxyphenyl)-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine IUPAC Name: (5R,10bS)-2-(4-prop-2-enoxyphenyl)-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine Traditional Name: (5R,10bS)-2-(4-allyloxyphenyl)-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2N3C(C=C(N3)C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5O2

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2N3[C@@H](C=C(N3)C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5O2

InChI

InChI=1S/C28H28N2O3/c1-3-17-31-22-13-9-20(10-14-22)25-19-26-24-7-5-6-8-27(24)33-28(30(26)29-25)21-11-15-23(16-12-21)32-18-4-2/h3,5-16,19,26,28-29H,1,4,17-18H2,2H3/t26-,28+/m0/s1