N-(3-azanyl-3-oxidanylidene-propyl)-2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(phenylmethyl)propanamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(phenylmethyl)propanamide Openeye Name: N-(3-amino-3-oxo-propyl)-N-benzyl-2-(4-bromo-2,6-dimethyl-phenoxy)propanamide CAS Name: N-(3-amino-3-oxopropyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(phenylmethyl)propanamide IUPAC Name: N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-bromo-2,6-dimethylphenoxy)propanamide Traditional Name: N-(3-amino-3-keto-propyl)-N-benzyl-2-(4-bromo-2,6-dimethyl-phenoxy)propionamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)N(CCC(=O)N)CC2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)N(CCC(=O)N)CC2=CC=CC=C2)C)Br

InChI

InChI=1S/C21H25BrN2O3/c1-14-11-18(22)12-15(2)20(14)27-16(3)21(26)24(10-9-19(23)25)13-17-7-5-4-6-8-17/h4-8,11-12,16H,9-10,13H2,1-3H3,(H2,23,25)