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

Systemtic Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chloranyl-phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chloro-phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[5-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-2-chlorophenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[5-[[4-(aminomethyl)benzyl]carbamoyl]-2-chloro-phenyl]-5-bromo-nicotinamide Formula: C21H18BrClN4O2 MolecularWeight: 473.75022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H18BrClN4O2/c22-17-7-16(11-25-12-17)21(29)27-19-8-15(5-6-18(19)23)20(28)26-10-14-3-1-13(9-24)2-4-14/h1-8,11-12H,9-10,24H2,(H,26,28)(H,27,29)