5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone

Systemtic Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone Openeye Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methanone IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone Formula: C28H21N3OS MolecularWeight: 447.55084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C28H21N3OS/c32-28(31-24-13-6-4-9-20(24)16-17-21-10-5-7-14-25(21)31)23-19-30(22-11-2-1-3-12-22)29-27(23)26-15-8-18-33-26/h1-15,18-19H,16-17H2