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

Systemtic Name: 8-[(3-methylbutylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(isopentylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(3-methylbutylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(3-methylbutylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(isoamylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-14(2)9-10-23-13-15-3-7-19-16(11-15)4-5-17-12-18(21(22)24)6-8-20(17)25-19/h3,6-8,11-12,14,23H,4-5,9-10,13H2,1-2H3,(H2,22,24)