8-[(3-methylbutylamino)methyl]-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine-3-carboxamide

Systemtic Name: 8-[(3-methylbutylamino)methyl]-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine-3-carboxamide Openeye Name: 8-[(isopentylamino)methyl]-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine-3-carboxamide CAS Name: 8-[(3-methylbutylamino)methyl]-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine-3-carboxamide IUPAC Name: 8-[(3-methylbutylamino)methyl]-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine-3-carboxamide Traditional Name: 8-[(isoamylamino)methyl]-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine-3-carboxamide Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=N3)C(=O)N

Isomeric SMILES

CC(C)CCNCC1=CC2=C(C=C1)OC3=C(CC2)C=C(C=N3)C(=O)N

InChI

InChI=1S/C20H25N3O2/c1-13(2)7-8-22-11-14-3-6-18-15(9-14)4-5-16-10-17(19(21)24)12-23-20(16)25-18/h3,6,9-10,12-13,22H,4-5,7-8,11H2,1-2H3,(H2,21,24)