(3S,3aS)-3-(4-bromophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole

Systemtic Name: (3S,3aS)-3-(4-bromophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole Openeye Name: (3S,3aS)-3-(4-bromophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole CAS Name: (3S,3aS)-3-(4-bromophenyl)-2,3,3a,4-tetrahydro[1]benzopyrano[4,3-c]pyrazole IUPAC Name: (3S,3aS)-3-(4-bromophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole Traditional Name: (3S,3aS)-3-(4-bromophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole Formula: C16H13BrN2O MolecularWeight: 329.19122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(NN=C2C3=CC=CC=C3O1)C4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@H]2[C@H](NN=C2C3=CC=CC=C3O1)C4=CC=C(C=C4)Br

InChI

InChI=1S/C16H13BrN2O/c17-11-7-5-10(6-8-11)15-13-9-20-14-4-2-1-3-12(14)16(13)19-18-15/h1-8,13,15,18H,9H2/t13-,15+/m0/s1