N-[5-tert-butyl-2-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)-3-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]-1-mesyl-isonipecotamide Formula: C22H32N6O4S MolecularWeight: 476.59228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C3=NC(=O)C4=C(N3)CCCC4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C3=NC(=O)C4=C(N3)CCCC4

InChI

InChI=1S/C22H32N6O4S/c1-22(2,3)17-13-18(24-19(29)14-9-11-27(12-10-14)33(4,31)32)28(26-17)21-23-16-8-6-5-7-15(16)20(30)25-21/h13-14H,5-12H2,1-4H3,(H,24,29)(H,23,25,30)