(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(4-keto-1H-quinazolin-2-yl)-3-[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]acrylonitrile Formula: C31H26N6O3S MolecularWeight: 562.64154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(\C#N)/C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C31H26N6O3S/c32-20-23(30-33-28-15-6-5-14-27(28)31(38)34-30)18-24-21-37(25-11-3-1-4-12-25)35-29(24)22-10-9-13-26(19-22)41(39,40)36-16-7-2-8-17-36/h1,3-6,9-15,18-19,21H,2,7-8,16-17H2,(H,33,34,38)/b23-18+