N'-[[3-(3-bromophenyl)-3-oxidanylidene-1-pyridin-3-yl-propyl]amino]pyridine-2-carboximidamide

Systemtic Name: N'-[[3-(3-bromophenyl)-3-oxidanylidene-1-pyridin-3-yl-propyl]amino]pyridine-2-carboximidamide Openeye Name: N'-[[3-(3-bromophenyl)-3-oxo-1-(3-pyridyl)propyl]amino]pyridine-2-carboxamidine CAS Name: N'-[[3-(3-bromophenyl)-3-oxo-1-(3-pyridinyl)propyl]amino]-2-pyridinecarboximidamide IUPAC Name: N'-[[3-(3-bromophenyl)-3-oxo-1-pyridin-3-ylpropyl]amino]pyridine-2-carboximidamide Traditional Name: N'-[[3-(3-bromophenyl)-3-keto-1-(3-pyridyl)propyl]amino]picolinamidine Formula: C20H18BrN5O MolecularWeight: 424.29382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=NNC(CC(=O)C2=CC(=CC=C2)Br)C3=CN=CC=C3)N

Isomeric SMILES

C1=CC=NC(=C1)/C(=N/NC(CC(=O)C2=CC(=CC=C2)Br)C3=CN=CC=C3)/N

InChI

InChI=1S/C20H18BrN5O/c21-16-7-3-5-14(11-16)19(27)12-18(15-6-4-9-23-13-15)25-26-20(22)17-8-1-2-10-24-17/h1-11,13,18,25H,12H2,(H2,22,26)