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

Systemtic Name: N-[(3-methyl-4-propoxy-phenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-pyridin-4-yloxy-ethanamide Openeye Name: N-[(3-methyl-4-propoxy-phenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-(4-pyridyloxy)acetamide CAS Name: N-[(3-methyl-4-propoxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-pyridin-4-yloxyacetamide IUPAC Name: N-[(3-methyl-4-propoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-yloxyacetamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-(3-methyl-4-propoxy-benzyl)-2-(4-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=NC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)COC3=CC=NC=C3)C

InChI

InChI=1S/C24H31N3O4/c1-3-14-30-22-8-7-19(15-18(22)2)16-27(21-6-4-5-11-26-24(21)29)23(28)17-31-20-9-12-25-13-10-20/h7-10,12-13,15,21H,3-6,11,14,16-17H2,1-2H3,(H,26,29)/t21-/m0/s1