4-(3-pyrazin-2-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(3-pyrazin-2-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Openeye Name: 4-(3-pyrazin-2-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid CAS Name: 4-[3-(2-pyrazinyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-(3-pyrazin-2-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Traditional Name: 4-(3-pyrazin-2-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Formula: C16H13N5O2 MolecularWeight: 307.30672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=C(C=C3)C(=O)O)C4=NC=CN=C4

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=C(C=C3)C(=O)O)C4=NC=CN=C4

InChI

InChI=1S/C16H13N5O2/c22-16(23)10-1-3-11(4-2-10)21-15-12(5-6-19-15)14(20-21)13-9-17-7-8-18-13/h1-4,7-9,20H,5-6H2,(H,22,23)