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

Systemtic Name: 8-[(4-methylpentylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(isohexylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(4-methylpentylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(4-methylpentylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(isohexylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)CCCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=C3)C(=O)N

InChI

InChI=1S/C22H28N2O2/c1-15(2)4-3-11-24-14-16-5-9-20-17(12-16)6-7-18-13-19(22(23)25)8-10-21(18)26-20/h5,8-10,12-13,15,24H,3-4,6-7,11,14H2,1-2H3,(H2,23,25)