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

Systemtic Name: 4-fluoranyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]benzamide Openeye Name: 4-fluoro-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-[3-(3-pyridyl)propoxy]phenyl]methyl]benzamide CAS Name: 4-fluoro-N-[(3S)-2-oxo-3-azepanyl]-N-[[4-[3-(3-pyridinyl)propoxy]phenyl]methyl]benzamide IUPAC Name: 4-fluoro-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]benzamide Traditional Name: 4-fluoro-N-[(3S)-2-ketoazepan-3-yl]-N-[4-[3-(3-pyridyl)propoxy]benzyl]benzamide Formula: C28H30FN3O3 MolecularWeight: 475.554503

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O3/c29-24-12-10-23(11-13-24)28(34)32(26-7-1-2-17-31-27(26)33)20-22-8-14-25(15-9-22)35-18-4-6-21-5-3-16-30-19-21/h3,5,8-16,19,26H,1-2,4,6-7,17-18,20H2,(H,31,33)/t26-/m0/s1