8-[(3-morpholin-4-ylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide

Systemtic Name: 8-[(3-morpholin-4-ylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(3-morpholinopropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[[3-(4-morpholinyl)propylamino]methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(3-morpholin-4-ylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(3-morpholinopropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)N)OC3=C1C=C(C=C3)CNCCCN4CCOCC4

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)N)OC3=C1C=C(C=C3)CNCCCN4CCOCC4

InChI

InChI=1S/C23H29N3O3/c24-23(27)20-5-7-22-19(15-20)4-3-18-14-17(2-6-21(18)29-22)16-25-8-1-9-26-10-12-28-13-11-26/h2,5-7,14-15,25H,1,3-4,8-13,16H2,(H2,24,27)