4-bromanyl-N-[2-fluoranyl-4-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide

Systemtic Name: 4-bromanyl-N-[2-fluoranyl-4-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide Openeye Name: 4-bromo-N-[2-fluoro-4-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide CAS Name: 4-bromo-N-[2-fluoro-4-methoxy-5-(4-methyl-1-piperazinyl)phenyl]-3-methylbenzamide IUPAC Name: 4-bromo-N-[2-fluoro-4-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide Traditional Name: 4-bromo-N-[2-fluoro-4-methoxy-5-(4-methylpiperazino)phenyl]-3-methyl-benzamide Formula: C20H23BrFN3O2 MolecularWeight: 436.317923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C(=C2)N3CCN(CC3)C)OC)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C(=C2)N3CCN(CC3)C)OC)F)Br

InChI

InChI=1S/C20H23BrFN3O2/c1-13-10-14(4-5-15(13)21)20(26)23-17-12-18(19(27-3)11-16(17)22)25-8-6-24(2)7-9-25/h4-5,10-12H,6-9H2,1-3H3,(H,23,26)