3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-imidazol-1-yl-2-nitro-anilino)-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-imidazolyl)-2-nitroanilino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-imidazol-1-yl-2-nitroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-imidazol-1-yl-2-nitro-anilino)-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C21H23N7O3 MolecularWeight: 421.45242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O3/c29-21(26-13-11-25(12-14-26)20-3-1-2-7-24-20)6-8-23-18-5-4-17(15-19(18)28(30)31)27-10-9-22-16-27/h1-5,7,9-10,15-16,23H,6,8,11-14H2