2-[7-bromanyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanamide

Systemtic Name: 2-[7-bromanyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanamide Openeye Name: 2-(3-benzyl-7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)acetamide CAS Name: 2-[7-bromo-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]acetamide IUPAC Name: 2-(3-benzyl-7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)acetamide Traditional Name: 2-(3-benzyl-7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)acetamide Formula: C18H20BrN3O MolecularWeight: 374.2749

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)Br)CC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)Br)CC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C18H20BrN3O/c19-15-6-7-17-14(9-15)11-22(12-18(20)23)16(10-21-17)8-13-4-2-1-3-5-13/h1-7,9,16,21H,8,10-12H2,(H2,20,23)