9-bromanyl-5-(4-heptoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Systemtic Name: 9-bromanyl-5-(4-heptoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Openeye Name: 9-bromo-5-(4-heptoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine CAS Name: 9-bromo-5-(4-heptoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine IUPAC Name: 9-bromo-5-(4-heptoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Traditional Name: 9-bromo-5-(4-heptoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Formula: C29H31BrN2O2 MolecularWeight: 519.47264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)Br

InChI

InChI=1S/C29H31BrN2O2/c1-2-3-4-5-9-18-33-24-15-12-22(13-16-24)29-32-27(25-19-23(30)14-17-28(25)34-29)20-26(31-32)21-10-7-6-8-11-21/h6-8,10-17,19,27,29H,2-5,9,18,20H2,1H3