N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]phenyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxo-ethyl]phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethyl]phenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethyl]phenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[2-[2-[[4-(aminomethyl)benzyl]amino]-2-keto-ethyl]phenyl]-5-bromo-nicotinamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2/c23-19-9-18(13-25-14-19)22(29)27-20-4-2-1-3-17(20)10-21(28)26-12-16-7-5-15(11-24)6-8-16/h1-9,13-14H,10-12,24H2,(H,26,28)(H,27,29)