3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-3-(4-imidazol-1-yl-2-nitro-anilino)propan-1-one CAS Name: 3-[4-(1-imidazolyl)-2-nitroanilino]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-imidazol-1-yl-2-nitroanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-3-(4-imidazol-1-yl-2-nitro-anilino)propan-1-one Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O3/c32-25(29-17-15-28(16-18-29)13-4-7-21-5-2-1-3-6-21)10-11-27-23-9-8-22(19-24(23)31(33)34)30-14-12-26-20-30/h1-9,12,14,19-20,27H,10-11,13,15-18H2/b7-4+