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

Systemtic Name: (7Z)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-1H-imidazo[1,2-b]pyrazol-4-ium-6-one Openeye Name: (7Z)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-1H-imidazo[1,2-b]pyrazol-4-ium-6-one CAS Name: (7Z)-7-(2-azepanylidene)-2-(4-nitrophenyl)-5-phenyl-1H-imidazo[1,2-b]pyrazol-4-ium-6-one IUPAC Name: (7Z)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-1H-imidazo[1,2-b]pyrazol-4-ium-6-one Traditional Name: (7Z)-7-(azepan-2-ylidene)-2-(4-nitrophenyl)-5-phenyl-1H-imidazo[1,2-b]pyrazol-4-ium-6-one Formula: C23H22N5O3+ MolecularWeight: 416.45248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C3=[N+](C=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])N(C2=O)C5=CC=CC=C5)NCC1

Isomeric SMILES

C1CC/C(=C/2\C3=[N+](C=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])N(C2=O)C5=CC=CC=C5)/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/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2,(H,24,25,29)/p+1