2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[[2-[1-azepanyl(oxo)methyl]phenyl]thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[[2-(azepane-1-carbonyl)phenyl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)N4CCCCCC4

InChI

InChI=1S/C26H30N4O3S/c1-19-24(26(33)30(28(19)2)20-12-6-5-7-13-20)27-23(31)18-34-22-15-9-8-14-21(22)25(32)29-16-10-3-4-11-17-29/h5-9,12-15H,3-4,10-11,16-18H2,1-2H3,(H,27,31)