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

Systemtic Name: 8-[(3,3-dimethylbutylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(3,3-dimethylbutylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(3,3-dimethylbutylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(3,3-dimethylbutylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(3,3-dimethylbutylamino)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)(C)CCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)(C)CCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=C3)C(=O)N

InChI

InChI=1S/C22H28N2O2/c1-22(2,3)10-11-24-14-15-4-8-19-16(12-15)5-6-17-13-18(21(23)25)7-9-20(17)26-19/h4,7-9,12-13,24H,5-6,10-11,14H2,1-3H3,(H2,23,25)