cyclopentane; 1-(phenylmethyl)-4,5-di(propylidene)azepane; zirconium(4+)

Systemtic Name: cyclopentane; 1-(phenylmethyl)-4,5-di(propylidene)azepane; zirconium(4+) Openeye Name: 1-benzyl-4,5-di(propylidene)azepane; cyclopentane; zirconium(4+) CAS Name: cyclopentane; 1-(phenylmethyl)-4,5-di(propylidene)azepane; zirconium(4+) IUPAC Name: 1-benzyl-4,5-di(propylidene)azepane; cyclopentane; zirconium(4+) Traditional Name: 1-benzyl-4,5-di(propylidene)azepane; cyclopentane; zirconium(4+) Formula: C29H45NZr+2 MolecularWeight: 498.8983

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Descriptors Computed from Structure

Canonical SMILES:

CC[C-]=C1CCN(CCC1=[C-]CC)CC2=CC=CC=C2.C1CCCC1.C1CCCC1.[Zr+4]

Isomeric SMILES

CC[C-]=C1CCN(CCC1=[C-]CC)CC2=CC=CC=C2.C1CCCC1.C1CCCC1.[Zr+4]

InChI

InChI=1S/C19H25N.2C5H10.Zr/c1-3-8-18-12-14-20(15-13-19(18)9-4-2)16-17-10-6-5-7-11-17;2*1-2-4-5-3-1;/h5-7,10-11H,3-4,12-16H2,1-2H3;2*1-5H2;/q-2;;;+4