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

Systemtic Name: tert-butyl N-[5-[[4-(phenylcarbamoyl)-1H-imidazol-5-yl]carbonylamino]pentyl]carbamate Openeye Name: tert-butyl N-[5-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentyl]carbamate CAS Name: N-[5-[[[4-[anilino(oxo)methyl]-1H-imidazol-5-yl]-oxomethyl]amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentyl]carbamate Traditional Name: N-[5-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentyl]carbamic acid tert-butyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCNC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCNC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H29N5O4/c1-21(2,3)30-20(29)23-13-9-5-8-12-22-18(27)16-17(25-14-24-16)19(28)26-15-10-6-4-7-11-15/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3,(H,22,27)(H,23,29)(H,24,25)(H,26,28)