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

Systemtic Name: 8-[(2-phenylazepan-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(2-phenylazepan-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(2-phenyl-1-azepanyl)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(2-phenylazepan-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(2-phenylazepan-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)CC2=CC3=C(C=C2)OC4=C(CC3)C=C(C=C4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CCC(N(CC1)CC2=CC3=C(C=C2)OC4=C(CC3)C=C(C=C4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2/c29-28(31)24-13-15-27-23(18-24)12-11-22-17-20(10-14-26(22)32-27)19-30-16-6-2-5-9-25(30)21-7-3-1-4-8-21/h1,3-4,7-8,10,13-15,17-18,25H,2,5-6,9,11-12,16,19H2,(H2,29,31)