tert-butyl N-[4-oxidanylidene-5-(phenylmethyl)-1,3,5-triazacyclotridecen-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-oxidanylidene-5-(phenylmethyl)-1,3,5-triazacyclotridecen-2-yl]carbamate Openeye Name: tert-butyl N-(5-benzyl-4-oxo-1,3,5-triazacyclotridecen-2-yl)carbamate CAS Name: N-[4-oxo-5-(phenylmethyl)-1,3,5-triazacyclotridecen-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-benzyl-4-oxo-1,3,5-triazacyclotridecen-2-yl)carbamate Traditional Name: N-(5-benzyl-4-keto-1,3,5-triazacyclotridecen-2-yl)carbamic acid tert-butyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NCCCCCCCCN(C(=O)N1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NCCCCCCCCN(C(=O)N1)CC2=CC=CC=C2

InChI

InChI=1S/C22H34N4O3/c1-22(2,3)29-21(28)25-19-23-15-11-6-4-5-7-12-16-26(20(27)24-19)17-18-13-9-8-10-14-18/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3,(H2,23,24,25,27,28)