N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]furan-2-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]furan-2-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-[3-(3-pyridyl)propoxy]phenyl]methyl]furan-2-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[4-[3-(3-pyridinyl)propoxy]phenyl]methyl]-2-furancarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]furan-2-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[4-[3-(3-pyridyl)propoxy]benzyl]-2-furamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C26H29N3O4/c30-25-23(8-1-2-15-28-25)29(26(31)24-9-5-17-33-24)19-21-10-12-22(13-11-21)32-16-4-7-20-6-3-14-27-18-20/h3,5-6,9-14,17-18,23H,1-2,4,7-8,15-16,19H2,(H,28,30)/t23-/m0/s1