4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(3-chloranyl-4-methyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(3-chloranyl-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-(3-chloro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(3-chloro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C19H29ClN4O2 MolecularWeight: 380.91216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)Cl

InChI

InChI=1S/C19H29ClN4O2/c1-14-6-7-15(12-16(14)20)21-18(26)24-9-5-8-23(10-11-24)13-17(25)22-19(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3,(H,21,26)(H,22,25)