N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]-4-pyrazol-1-yl-benzamide Formula: C31H33N5O4 MolecularWeight: 539.62482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=C(C=C3)N4C=CC=N4)OCCC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=C(C=C3)N4C=CC=N4)OCCC5=CC=CC=N5

InChI

InChI=1S/C31H33N5O4/c1-39-29-21-23(9-14-28(29)40-20-15-25-7-2-4-16-32-25)22-35(27-8-3-5-17-33-30(27)37)31(38)24-10-12-26(13-11-24)36-19-6-18-34-36/h2,4,6-7,9-14,16,18-19,21,27H,3,5,8,15,17,20,22H2,1H3,(H,33,37)/t27-/m0/s1