2-bromanyl-5-methoxy-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]benzamide Openeye Name: 2-bromo-5-methoxy-N-[4-(1-methyl-2-oxo-2-piperazin-1-yl-ethyl)phenyl]benzamide CAS Name: 2-bromo-5-methoxy-N-[4-[1-oxo-1-(1-piperazinyl)propan-2-yl]phenyl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide Traditional Name: 2-bromo-N-[4-(2-keto-1-methyl-2-piperazino-ethyl)phenyl]-5-methoxy-benzamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)OC)Br)C(=O)N3CCNCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)OC)Br)C(=O)N3CCNCC3

InChI

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