8-[[2-(phenylmethyl)pyrrolidin-1-yl]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide

Systemtic Name: 8-[[2-(phenylmethyl)pyrrolidin-1-yl]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(2-benzylpyrrolidin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[[2-(phenylmethyl)-1-pyrrolidinyl]methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(2-benzylpyrrolidin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(2-benzylpyrrolidino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC3=C(C=C2)OC4=C(CC3)C=C(C=C4)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)CC2=CC3=C(C=C2)OC4=C(CC3)C=C(C=C4)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O2/c28-27(30)23-11-13-26-22(17-23)10-9-21-15-20(8-12-25(21)31-26)18-29-14-4-7-24(29)16-19-5-2-1-3-6-19/h1-3,5-6,8,11-13,15,17,24H,4,7,9-10,14,16,18H2,(H2,28,30)