3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]propionamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C24H29N5O3S/c30-24(26-19-21-8-12-23(25-18-21)29-17-5-14-27-29)13-9-20-6-10-22(11-7-20)33(31,32)28-15-3-1-2-4-16-28/h5-8,10-12,14,17-18H,1-4,9,13,15-16,19H2,(H,26,30)