4-bromanyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[[3-(isobutyrylamino)benzyl]amino]-3-keto-propyl]benzamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrN3O3/c1-14(2)20(27)25-18-5-3-4-15(12-18)13-24-19(26)10-11-23-21(28)16-6-8-17(22)9-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)