2-(azepan-1-ium-1-yl)-1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[(3R)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[(3R)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[(5R)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethanone Formula: C27H30N3O+ MolecularWeight: 412.5466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2C(C=C(N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2[C@H](C=C(N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O/c31-27(20-29-16-8-1-2-9-17-29)30-26(22-11-4-3-5-12-22)19-25(28-30)24-15-14-21-10-6-7-13-23(21)18-24/h3-7,10-15,18-19,26,28H,1-2,8-9,16-17,20H2/p+1/t26-/m1/s1