N-[3-(aminomethyl)phenoxy]-3-(2-bromanylethanoylamino)-N-(4-chlorophenyl)propanamide

Systemtic Name: N-[3-(aminomethyl)phenoxy]-3-(2-bromanylethanoylamino)-N-(4-chlorophenyl)propanamide Openeye Name: N-[3-(aminomethyl)phenoxy]-3-[(2-bromoacetyl)amino]-N-(4-chlorophenyl)propanamide CAS Name: N-[3-(aminomethyl)phenoxy]-3-[(2-bromo-1-oxoethyl)amino]-N-(4-chlorophenyl)propanamide IUPAC Name: N-[3-(aminomethyl)phenoxy]-3-[(2-bromoacetyl)amino]-N-(4-chlorophenyl)propanamide Traditional Name: N-[3-(aminomethyl)phenoxy]-3-[(2-bromoacetyl)amino]-N-(4-chlorophenyl)propionamide Formula: C18H19BrClN3O3 MolecularWeight: 440.71876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)ON(C2=CC=C(C=C2)Cl)C(=O)CCNC(=O)CBr)CN

Isomeric SMILES

C1=CC(=CC(=C1)ON(C2=CC=C(C=C2)Cl)C(=O)CCNC(=O)CBr)CN

InChI

InChI=1S/C18H19BrClN3O3/c19-11-17(24)22-9-8-18(25)23(15-6-4-14(20)5-7-15)26-16-3-1-2-13(10-16)12-21/h1-7,10H,8-9,11-12,21H2,(H,22,24)