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

Systemtic Name: N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[4-[2-[[4-(aminomethyl)phenyl]methylamino]-1-methyl-2-oxo-ethyl]phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[4-[2-[[4-(aminomethyl)benzyl]amino]-2-keto-1-methyl-ethyl]phenyl]-5-bromo-nicotinamide Formula: C23H23BrN4O2 MolecularWeight: 467.35832

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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)NCC3=CC=C(C=C3)CN

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)C(=O)NCC3=CC=C(C=C3)CN

InChI

InChI=1S/C23H23BrN4O2/c1-15(22(29)27-12-17-4-2-16(11-25)3-5-17)18-6-8-21(9-7-18)28-23(30)19-10-20(24)14-26-13-19/h2-10,13-15H,11-12,25H2,1H3,(H,27,29)(H,28,30)