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

Systemtic Name: 8-[(2-diethylaminoethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(2-diethylaminoethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(2-diethylaminoethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(2-diethylaminoethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(2-diethylaminoethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-3-25(4-2)12-11-24-15-16-5-9-20-17(13-16)6-7-18-14-19(22(23)26)8-10-21(18)27-20/h5,8-10,13-14,24H,3-4,6-7,11-12,15H2,1-2H3,(H2,23,26)