2,5-diphenyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)imidazo[1,2-b]pyrazol-4-ium-6-one

Systemtic Name: 2,5-diphenyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)imidazo[1,2-b]pyrazol-4-ium-6-one Openeye Name: 2,5-diphenyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)imidazo[1,2-b]pyrazol-4-ium-6-one CAS Name: 2,5-diphenyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6-imidazo[1,2-b]pyrazol-4-iumone IUPAC Name: 2,5-diphenyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)imidazo[1,2-b]pyrazol-4-ium-6-one Traditional Name: 2,5-diphenyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)imidazo[1,2-b]pyrazol-4-ium-6-one Formula: C23H21N4O+ MolecularWeight: 369.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2=C3N=C(C=[N+]3N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=NCC1)C2=C3N=C(C=[N+]3N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N4O/c28-23-21(19-14-8-3-9-15-24-19)22-25-20(17-10-4-1-5-11-17)16-26(22)27(23)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2/q+1