3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(3-pyridin-3-ylphenyl)amino]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(3-pyridin-3-ylphenyl)amino]phenyl]benzamide Openeye Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[3-(3-pyridyl)anilino]phenyl]benzamide CAS Name: 3-bromo-4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[3-(3-pyridinyl)anilino]phenyl]benzamide IUPAC Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(3-pyridin-3-ylanilino)phenyl]benzamide Traditional Name: 3-bromo-4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[3-(3-pyridyl)anilino]phenyl]benzamide Formula: C31H32BrN5O MolecularWeight: 570.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)Br)NC4=CC=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)Br)NC4=CC=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C31H32BrN5O/c1-22-8-11-28(19-30(22)34-27-7-3-5-23(17-27)25-6-4-12-33-20-25)35-31(38)24-9-10-26(29(32)18-24)21-37-15-13-36(2)14-16-37/h3-12,17-20,34H,13-16,21H2,1-2H3,(H,35,38)