N-[4-[[ethyl(oxan-4-yl)amino]methyl]phenyl]-7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[4-[[ethyl(oxan-4-yl)amino]methyl]phenyl]-7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[ethyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-pyridyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[ethyl(4-oxanyl)amino]methyl]phenyl]-7-pyridin-4-yl-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[ethyl(oxan-4-yl)amino]methyl]phenyl]-7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[ethyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-pyridyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=NC=C4)OCC2)C5CCOCC5

Isomeric SMILES

CCN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=NC=C4)OCC2)C5CCOCC5

InChI

InChI=1S/C30H33N3O3/c1-2-33(28-12-16-35-17-13-28)21-22-3-6-27(7-4-22)32-30(34)25-11-18-36-29-8-5-24(19-26(29)20-25)23-9-14-31-15-10-23/h3-10,14-15,19-20,28H,2,11-13,16-18,21H2,1H3,(H,32,34)