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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=C3)C(=O)N

Isomeric SMILES

CCCCCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=C3)C(=O)N

InChI

InChI=1S/C21H26N2O2/c1-2-3-4-11-23-14-15-5-9-19-16(12-15)6-7-17-13-18(21(22)24)8-10-20(17)25-19/h5,8-10,12-13,23H,2-4,6-7,11,14H2,1H3,(H2,22,24)