3-bromanyl-4-(diethylaminomethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-(diethylaminomethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 3-bromo-4-(diethylaminomethyl)-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 3-bromo-4-(diethylaminomethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-bromo-4-(diethylaminomethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 3-bromo-4-(diethylaminomethyl)-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H29BrN6O MolecularWeight: 545.47346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CC=C4)Br

Isomeric SMILES

CCN(CC)CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CC=C4)Br

InChI

InChI=1S/C28H29BrN6O/c1-4-35(5-2)18-22-10-9-20(15-24(22)29)27(36)32-23-11-8-19(3)26(16-23)34-28-31-14-12-25(33-28)21-7-6-13-30-17-21/h6-17H,4-5,18H2,1-3H3,(H,32,36)(H,31,33,34)