N-[1-[2-[4-(2-bromanylethanoylamino)phenyl]ethyl]piperidin-4-yl]-N-phenyl-propanamide

Systemtic Name: N-[1-[2-[4-(2-bromanylethanoylamino)phenyl]ethyl]piperidin-4-yl]-N-phenyl-propanamide Openeye Name: N-[1-[2-[4-[(2-bromoacetyl)amino]phenyl]ethyl]-4-piperidyl]-N-phenyl-propanamide CAS Name: N-[1-[2-[4-[(2-bromo-1-oxoethyl)amino]phenyl]ethyl]-4-piperidinyl]-N-phenylpropanamide IUPAC Name: N-[1-[2-[4-[(2-bromoacetyl)amino]phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide Traditional Name: N-[1-[2-[4-[(2-bromoacetyl)amino]phenyl]ethyl]-4-piperidyl]-N-phenyl-propionamide Formula: C24H30BrN3O2 MolecularWeight: 472.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)NC(=O)CBr)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)NC(=O)CBr)C3=CC=CC=C3

InChI

InChI=1S/C24H30BrN3O2/c1-2-24(30)28(21-6-4-3-5-7-21)22-13-16-27(17-14-22)15-12-19-8-10-20(11-9-19)26-23(29)18-25/h3-11,22H,2,12-18H2,1H3,(H,26,29)