7-(4-methylphenyl)-N-[4-[(pyrimidin-2-ylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(pyrimidin-2-ylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 7-(p-tolyl)-N-[4-[(pyrimidin-2-ylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(2-pyrimidinylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(pyrimidin-2-ylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 7-(p-tolyl)-N-[4-[(2-pyrimidylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CNC5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CNC5=NC=CC=N5

InChI

InChI=1S/C29H26N4O2/c1-20-3-7-22(8-4-20)23-9-12-27-25(17-23)18-24(13-16-35-27)28(34)33-26-10-5-21(6-11-26)19-32-29-30-14-2-15-31-29/h2-12,14-15,17-18H,13,16,19H2,1H3,(H,33,34)(H,30,31,32)