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

Systemtic Name: 5-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Openeye Name: 5-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-(2-thienyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine CAS Name: 5-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine IUPAC Name: 5-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Traditional Name: 5-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-(2-thienyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O3S/c1-3-28-20-12-14(11-16(24)22(20)27-2)23-26-18(15-7-4-5-8-19(15)29-23)13-17(25-26)21-9-6-10-30-21/h4-12,18,23H,3,13H2,1-2H3