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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-16-7-8-18(13-20(16)26(28)29)22(27)25-11-9-24(10-12-25)14-19-15-30-21(23-19)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3