5-bromanyl-2-(1-phenylazanylpropyl)benzamide; 4-iodanylpiperidine

Systemtic Name: 5-bromanyl-2-(1-phenylazanylpropyl)benzamide; 4-iodanylpiperidine Openeye Name: 2-(1-anilinopropyl)-5-bromo-benzamide; 4-iodopiperidine CAS Name: 2-(1-anilinopropyl)-5-bromobenzamide; 4-iodopiperidine IUPAC Name: 2-(1-anilinopropyl)-5-bromobenzamide; 4-iodopiperidine Traditional Name: 2-(1-anilinopropyl)-5-bromo-benzamide; 4-iodopiperidine Formula: C21H27BrIN3O MolecularWeight: 544.26705

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1)Br)C(=O)N)NC2=CC=CC=C2.C1CNCCC1I

Isomeric SMILES

CCC(C1=C(C=C(C=C1)Br)C(=O)N)NC2=CC=CC=C2.C1CNCCC1I

InChI

InChI=1S/C16H17BrN2O.C5H10IN/c1-2-15(19-12-6-4-3-5-7-12)13-9-8-11(17)10-14(13)16(18)20;6-5-1-3-7-4-2-5/h3-10,15,19H,2H2,1H3,(H2,18,20);5,7H,1-4H2