tert-butyl N-[5-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]pentyl]carbamate Openeye Name: tert-butyl N-[5-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentyl]carbamate CAS Name: N-[5-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]pentyl]carbamate Traditional Name: N-[5-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentyl]carbamic acid tert-butyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N5O4/c1-15-9-8-10-16(13-15)27-20(29)18-17(25-14-26-18)19(28)23-11-6-5-7-12-24-21(30)31-22(2,3)4/h8-10,13-14H,5-7,11-12H2,1-4H3,(H,23,28)(H,24,30)(H,25,26)(H,27,29)