3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyridin-2-yl)amino]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyridin-2-yl)amino]phenyl]benzamide Openeye Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)-2-pyridyl]amino]phenyl]benzamide CAS Name: 3-bromo-4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyridinyl]amino]phenyl]benzamide IUPAC Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyridin-2-yl)amino]phenyl]benzamide Traditional Name: 3-bromo-4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)-2-pyridyl]amino]phenyl]benzamide Formula: C30H31BrN6O MolecularWeight: 571.51074

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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=NC=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=NC=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C30H31BrN6O/c1-21-5-8-26(18-28(21)35-29-17-22(9-11-33-29)24-4-3-10-32-19-24)34-30(38)23-6-7-25(27(31)16-23)20-37-14-12-36(2)13-15-37/h3-11,16-19H,12-15,20H2,1-2H3,(H,33,35)(H,34,38)