(Z)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-[3-[3-(1-azepanylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: (Z)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C29H31N5O4S MolecularWeight: 545.65254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C(=O)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O4S/c30-21-24(29(35)32-15-17-38-18-16-32)19-25-22-34(26-10-4-3-5-11-26)31-28(25)23-9-8-12-27(20-23)39(36,37)33-13-6-1-2-7-14-33/h3-5,8-12,19-20,22H,1-2,6-7,13-18H2/b24-19-