N-[4-[1-(2-azanylethylamino)-1-oxidanylidene-propan-2-yl]phenyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[1-(2-azanylethylamino)-1-oxidanylidene-propan-2-yl]phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[4-[2-(2-aminoethylamino)-1-methyl-2-oxo-ethyl]phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[4-[2-(2-aminoethylamino)-2-keto-1-methyl-ethyl]phenyl]-5-bromo-nicotinamide Formula: C17H19BrN4O2 MolecularWeight: 391.26236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)C(=O)NCCN

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)C(=O)NCCN

InChI

InChI=1S/C17H19BrN4O2/c1-11(16(23)21-7-6-19)12-2-4-15(5-3-12)22-17(24)13-8-14(18)10-20-9-13/h2-5,8-11H,6-7,19H2,1H3,(H,21,23)(H,22,24)