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

Systemtic Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[5-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-2-methylphenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[5-[[4-(aminomethyl)benzyl]carbamoyl]-2-methyl-phenyl]-5-bromo-nicotinamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C22H21BrN4O2/c1-14-2-7-17(21(28)26-11-16-5-3-15(10-24)4-6-16)9-20(14)27-22(29)18-8-19(23)13-25-12-18/h2-9,12-13H,10-11,24H2,1H3,(H,26,28)(H,27,29)