N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-3-phenyl-isoxazole-5-carboxamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-3-phenyl-5-isoxazolecarboxamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]-3-phenyl-isoxazole-5-carboxamide Formula: C31H32N4O5 MolecularWeight: 540.60958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)C(=O)C3=CC(=NO3)C4=CC=CC=C4)OCCC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC(=NO3)C4=CC=CC=C4)OCCC5=CC=CC=N5

InChI

InChI=1S/C31H32N4O5/c1-38-28-19-22(13-14-27(28)39-18-15-24-11-5-7-16-32-24)21-35(26-12-6-8-17-33-30(26)36)31(37)29-20-25(34-40-29)23-9-3-2-4-10-23/h2-5,7,9-11,13-14,16,19-20,26H,6,8,12,15,17-18,21H2,1H3,(H,33,36)/t26-/m0/s1