N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[2-chloro-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C18H21ClN4O3 MolecularWeight: 376.83734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-11-16(12(2)26-22-11)17(24)21-15-10-13(4-5-14(15)19)18(25)23-8-3-6-20-7-9-23/h4-5,10,20H,3,6-9H2,1-2H3,(H,21,24)