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

Systemtic Name: 9-bromanyl-5-(4-hexoxy-3-methoxy-phenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Openeye Name: 9-bromo-5-(4-hexoxy-3-methoxy-phenyl)-2-(2-thienyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine CAS Name: 9-bromo-5-(4-hexoxy-3-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine IUPAC Name: 9-bromo-5-(4-hexoxy-3-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Traditional Name: 9-bromo-5-(4-hexoxy-3-methoxy-phenyl)-2-(2-thienyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Br)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Br)OC

InChI

InChI=1S/C27H29BrN2O3S/c1-3-4-5-6-13-32-24-11-9-18(15-25(24)31-2)27-30-22(17-21(29-30)26-8-7-14-34-26)20-16-19(28)10-12-23(20)33-27/h7-12,14-16,22,27H,3-6,13,17H2,1-2H3