[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C21H20ClN5O3 MolecularWeight: 425.8682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O3/c22-18-4-1-16(2-5-18)14-24-9-11-25(12-10-24)21(28)17-3-6-19(20(13-17)27(29)30)26-8-7-23-15-26/h1-8,13,15H,9-12,14H2