4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C29H31N7O MolecularWeight: 493.60274

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CN1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H31N7O/c1-35-16-3-17-36(19-18-35)21-22-5-7-23(8-6-22)28(37)32-25-9-11-26(12-10-25)33-29-31-15-13-27(34-29)24-4-2-14-30-20-24/h2,4-15,20H,3,16-19,21H2,1H3,(H,32,37)(H,31,33,34)