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

Systemtic Name: 8-[(2-phenylpyrrolidin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(2-phenylpyrrolidin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(2-phenyl-1-pyrrolidinyl)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(2-phenylpyrrolidin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(2-phenylpyrrolidino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C26H26N2O2 MolecularWeight: 398.49684

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2/c27-26(29)22-11-13-25-21(16-22)10-9-20-15-18(8-12-24(20)30-25)17-28-14-4-7-23(28)19-5-2-1-3-6-19/h1-3,5-6,8,11-13,15-16,23H,4,7,9-10,14,17H2,(H2,27,29)