N-[(3-methyl-4-propoxy-phenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-pyridin-2-yloxy-ethanamide

Systemtic Name: N-[(3-methyl-4-propoxy-phenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-pyridin-2-yloxy-ethanamide Openeye Name: N-[(3-methyl-4-propoxy-phenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-(2-pyridyloxy)acetamide CAS Name: N-[(3-methyl-4-propoxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-(2-pyridinyloxy)acetamide IUPAC Name: N-[(3-methyl-4-propoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-2-yloxyacetamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-(3-methyl-4-propoxy-benzyl)-2-(2-pyridyloxy)acetamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN(C2CCCCNC2=O)C(=O)COC3=CC=CC=N3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)COC3=CC=CC=N3)C

InChI

InChI=1S/C24H31N3O4/c1-3-14-30-21-11-10-19(15-18(21)2)16-27(20-8-4-6-13-26-24(20)29)23(28)17-31-22-9-5-7-12-25-22/h5,7,9-12,15,20H,3-4,6,8,13-14,16-17H2,1-2H3,(H,26,29)/t20-/m0/s1