N-(4-iodophenyl)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine hydroiodide

Systemtic Name: N-(4-iodophenyl)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine hydroiodide Openeye Name: N-benzyl-N-(4-iodophenyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine hydroiodide CAS Name: N-(4-iodophenyl)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine hydroiodide IUPAC Name: N-benzyl-N-(4-iodophenyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine hydroiodide Traditional Name: benzyl-(4-iodophenyl)-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amine hydroiodide Formula: C18H21I2N3 MolecularWeight: 533.18838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)I.I

Isomeric SMILES

C1CCN=C(NC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)I.I

InChI

InChI=1S/C18H20IN3.HI/c19-16-8-10-17(11-9-16)22(14-15-6-2-1-3-7-15)18-20-12-4-5-13-21-18;/h1-3,6-11H,4-5,12-14H2,(H,20,21);1H