1-isocyanato-3,5-bis(phenylmethyl)benzene

Systemtic Name: 1-isocyanato-3,5-bis(phenylmethyl)benzene Openeye Name: 1,3-dibenzyl-5-isocyanato-benzene CAS Name: 1-isocyanato-3,5-bis(phenylmethyl)benzene IUPAC Name: 1,3-dibenzyl-5-isocyanatobenzene Traditional Name: 1,3-dibenzyl-5-isocyanato-benzene Formula: C21H17NO MolecularWeight: 299.36578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CC(=C2)N=C=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CC(=C2)N=C=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H17NO/c23-16-22-21-14-19(11-17-7-3-1-4-8-17)13-20(15-21)12-18-9-5-2-6-10-18/h1-10,13-15H,11-12H2