(7E)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-imidazo[1,2-b]pyrazol-6-one

Systemtic Name: (7E)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-imidazo[1,2-b]pyrazol-6-one Openeye Name: (7E)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-imidazo[1,2-b]pyrazol-6-one CAS Name: (7E)-7-(2-azepanylidene)-2-(4-nitrophenyl)-5-phenyl-6-imidazo[1,2-b]pyrazolone IUPAC Name: (7E)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenylimidazo[1,2-b]pyrazol-6-one Traditional Name: (7E)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-imidazo[1,2-b]pyrazol-6-one Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C3=NC(=CN3N(C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])NCC1

Isomeric SMILES

C1CC/C(=C\2/C3=NC(=CN3N(C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])/NCC1

InChI

InChI=1S/C23H21N5O3/c29-23-21(19-9-5-2-6-14-24-19)22-25-20(16-10-12-18(13-11-16)28(30)31)15-26(22)27(23)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,15,24H,2,5-6,9,14H2/b21-19+