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

Systemtic Name: 5-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Openeye Name: 5-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)-2-(2-thienyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine CAS Name: 5-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine IUPAC Name: 5-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Traditional Name: 5-(4-benzoxy-3-bromo-5-ethoxy-phenyl)-2-(2-thienyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Formula: C29H25BrN2O3S MolecularWeight: 561.4894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)Br)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)Br)OCC6=CC=CC=C6

InChI

InChI=1S/C29H25BrN2O3S/c1-2-33-26-16-20(15-22(30)28(26)34-18-19-9-4-3-5-10-19)29-32-24(21-11-6-7-12-25(21)35-29)17-23(31-32)27-13-8-14-36-27/h3-16,24,29H,2,17-18H2,1H3