1,4-bis(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane; nickel(2+)

Systemtic Name: 1,4-bis(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane; nickel(2+) Openeye Name: nickelous 1,4-dibenzyl-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,4-bis(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane; nickel(2+) IUPAC Name: 1,4-dibenzyl-1,4,8,11-tetrazacyclotetradecane; nickel(2+) Traditional Name: nickelous 1,4-dibenzyl-1,4,8,11-tetrazacyclotetradecane Formula: C24H36N4Ni+2 MolecularWeight: 439.26284

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3.[Ni+2]

Isomeric SMILES

C1CNCCNCCCN(CCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C24H36N4.Ni/c1-3-9-23(10-4-1)21-27-17-7-13-25-15-16-26-14-8-18-28(20-19-27)22-24-11-5-2-6-12-24;/h1-6,9-12,25-26H,7-8,13-22H2;/q;+2