tert-butyl N-[1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]carbamate

Systemtic Name: tert-butyl N-[1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]carbamate Openeye Name: tert-butyl N-(1,4-dibenzyl-1,4-diazepan-6-yl)carbamate CAS Name: N-[1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1,4-dibenzyl-1,4-diazepan-6-yl)carbamate Traditional Name: N-(1,4-dibenzyl-1,4-diazepan-6-yl)carbamic acid tert-butyl ester Formula: C24H33N3O2 MolecularWeight: 395.53772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(CCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(CCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O2/c1-24(2,3)29-23(28)25-22-18-26(16-20-10-6-4-7-11-20)14-15-27(19-22)17-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3,(H,25,28)