N-[4-(2-azanylethylcarbamoyl)-2-methyl-phenyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(2-azanylethylcarbamoyl)-2-methyl-phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[4-(2-aminoethylcarbamoyl)-2-methyl-phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[4-[(2-aminoethylamino)-oxomethyl]-2-methylphenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[4-(2-aminoethylcarbamoyl)-2-methylphenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[4-(2-aminoethylcarbamoyl)-2-methyl-phenyl]-5-bromo-nicotinamide Formula: C16H17BrN4O2 MolecularWeight: 377.23578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCN)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCN)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H17BrN4O2/c1-10-6-11(15(22)20-5-4-18)2-3-14(10)21-16(23)12-7-13(17)9-19-8-12/h2-3,6-9H,4-5,18H2,1H3,(H,20,22)(H,21,23)