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

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(pyridin-2-ylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 7-(p-tolyl)-N-[4-[(2-pyridylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(2-pyridinylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(pyridin-2-ylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 7-(p-tolyl)-N-[4-[(2-pyridylamino)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C30H27N3O2 MolecularWeight: 461.55428

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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=CC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C30H27N3O2/c1-21-5-9-23(10-6-21)24-11-14-28-26(18-24)19-25(15-17-35-28)30(34)33-27-12-7-22(8-13-27)20-32-29-4-2-3-16-31-29/h2-14,16,18-19H,15,17,20H2,1H3,(H,31,32)(H,33,34)