N-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-(oxolan-2-ylmethyl)benzo[b][1]benzoxepine-5-carboxamide

Systemtic Name: N-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-(oxolan-2-ylmethyl)benzo[b][1]benzoxepine-5-carboxamide Openeye Name: N-[2-(cyclopentylamino)-2-oxo-ethyl]-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1]benzoxepine-5-carboxamide CAS Name: N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-oxolanylmethyl)-5-benzo[b][1]benzoxepincarboxamide IUPAC Name: N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzo[b][1]benzoxepine-5-carboxamide Traditional Name: N-[2-(cyclopentylamino)-2-keto-ethyl]-N-(tetrahydrofurfuryl)benzo[b][1]benzoxepin-5-carboxamide Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CN(CC2CCCO2)C(=O)C3=CC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CCC(C1)NC(=O)CN(CC2CCCO2)C(=O)C3=CC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C27H30N2O4/c30-26(28-20-9-2-3-10-20)18-29(17-21-11-7-15-32-21)27(31)23-16-19-8-1-5-13-24(19)33-25-14-6-4-12-22(23)25/h1,4-6,8,12-14,16,20-21H,2-3,7,9-11,15,17-18H2,(H,28,30)