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

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-thiophen-3-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(3-thienyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-7-(3-thiophenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-thiophen-3-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(3-thienyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3S/c1-30(26-9-12-32-13-10-26)18-20-2-5-25(6-3-20)29-28(31)22-8-14-33-27-7-4-21(16-24(27)17-22)23-11-15-34-19-23/h2-7,11,15-17,19,26H,8-10,12-14,18H2,1H3,(H,29,31)