(3-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3-nitrophenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (3-nitrophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (3-nitrophenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]methanone Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c26-21(17-7-4-8-19(13-17)25(27)28)24-11-9-23(10-12-24)14-18-15-29-20(22-18)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2